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Substance Name: F 0401
RN: 123852-99-3
InChIKey: CSBQPRGTYHAYKS-AATRIKPKSA-N

Molecular Formula

  • C29-H28-N4-O6

Molecular Weight

  • 528.5622
 
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Names and Synonyms

Name of Substance

  • F 0401

Synonyms

  • ((+-)-(E)-3-(4-(1-Imidazolyl)methylphenyl)-2-propen-1-yl)methyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
  • (E)-3-(4-(1H-Imidazol-1-ylmethyl)phenyl)-2-propenyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
  • F-0401

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(4-(1H-imidazol-1-ylmethyl)phenyl)-2-propenyl methyl ester, (E)-

Registry Numbers

CAS Registry Number

  • 123852-99-3

System Generated Number

  • 0123852993

Structure Descriptors

InChI

1S/C29H28N4O6/c1-19-25(28(34)38-3)27(23-7-4-8-24(16-23)33(36)37)26(20(2)31-19)29(35)39-15-5-6-21-9-11-22(12-10-21)17-32-14-13-30-18-32/h4-14,16,18,27,31H,15,17H2,1-3H3/b6-5+

InChIKey

CSBQPRGTYHAYKS-AATRIKPKSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/c2ccc(cc2)Cn3ccnc3)c4cccc(c4)[N+](=O)[O-])C(=O)OC