1-[[3-[(E)-3-[2-(4-methylphenyl)carbonylpyrrol-1-yl]prop-1-enyl]phenyl]carbonylamino]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[[3-[(E)-3-[2-(4-methylphenyl)carbonylpyrrol-1-yl]prop-1-enyl]phenyl]carbonylamino]cyclopentane-1-carboxylic acid Openeye Name: 1-[[3-[(E)-3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]benzoyl]amino]cyclopentanecarboxylic acid CAS Name: 1-[[[3-[(E)-3-[2-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]prop-1-enyl]phenyl]-oxomethyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[3-[(E)-3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]benzoyl]amino]cyclopentane-1-carboxylic acid Traditional Name: 1-[[3-[(E)-3-(2-p-toluoylpyrrol-1-yl)prop-1-enyl]benzoyl]amino]cyclopentanecarboxylic acid Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC=CC3=CC(=CC=C3)C(=O)NC4(CCCC4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CN2C/C=C/C3=CC(=CC=C3)C(=O)NC4(CCCC4)C(=O)O

InChI

InChI=1S/C28H28N2O4/c1-20-11-13-22(14-12-20)25(31)24-10-6-18-30(24)17-5-8-21-7-4-9-23(19-21)26(32)29-28(27(33)34)15-2-3-16-28/h4-14,18-19H,2-3,15-17H2,1H3,(H,29,32)(H,33,34)/b8-5+