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Substance Name: Benzeneacetic acid, 3-benzoyl-alpha-methyl-, 2-(2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)ethyl ester, (2Z)-2-butenedioate (1:2)
RN: 76823-82-0
InChIKey: YZSWFPMHORTSMM-LVEZLNDCSA-N

Molecular Formula

  • C37-H39-Cl-N2-O4.2C4-H4-O4

Molecular Weight

  • 843.321
 
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Names and Synonyms

  • Benzeneacetic acid, 3-benzoyl-alpha-methyl-, 2-(2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)ethyl ester, (2Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 76823-82-0

System Generated Number

  • 0076823820

Molecular Formulas

Molecular Formula

  • C37-H39-Cl-N2-O4.2C4-H4-O4

Molecular Formula Fragments

  • C37-H39-Cl-N2-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C37H39ClN2O4.2C4H4O4/c1-28(32-13-8-14-33(27-32)36(41)31-11-6-3-7-12-31)37(42)44-26-25-43-24-23-39-19-21-40(22-20-39)35(29-9-4-2-5-10-29)30-15-17-34(38)18-16-30;2*5-3(6)1-2-4(7)8/h2-18,27-28,35H,19-26H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

YZSWFPMHORTSMM-LVEZLNDCSA-N

Smiles

C(\C=C\C(=O)O)(=O)O.c1(cc(ccc1)C(c1ccccc1)=O)[C@@H](C(=O)OCCOCCN1CCN(CC1)[C@@H](c1ccccc1)c1ccc(cc1)Cl)C.C(\C=C\C(=O)O)(=O)O