5-(2-methylphenyl)-2-[3-(4-phenylphenyl)propanoylamino]cyclohexene-1-carboxylic acid

Systemtic Name: 5-(2-methylphenyl)-2-[3-(4-phenylphenyl)propanoylamino]cyclohexene-1-carboxylic acid Openeye Name: 5-(o-tolyl)-2-[3-(4-phenylphenyl)propanoylamino]cyclohexene-1-carboxylic acid CAS Name: 5-(2-methylphenyl)-2-[[1-oxo-3-(4-phenylphenyl)propyl]amino]-1-cyclohexenecarboxylic acid IUPAC Name: 5-(2-methylphenyl)-2-[3-(4-phenylphenyl)propanoylamino]cyclohexene-1-carboxylic acid Traditional Name: 5-(o-tolyl)-2-[3-(4-phenylphenyl)propanoylamino]cyclohexene-1-carboxylic acid Formula: C29H29NO3 MolecularWeight: 439.54546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CCC(=C(C2)C(=O)O)NC(=O)CCC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2CCC(=C(C2)C(=O)O)NC(=O)CCC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H29NO3/c1-20-7-5-6-10-25(20)24-16-17-27(26(19-24)29(32)33)30-28(31)18-13-21-11-14-23(15-12-21)22-8-3-2-4-9-22/h2-12,14-15,24H,13,16-19H2,1H3,(H,30,31)(H,32,33)