5-(2-methylphenyl)-2-(3-naphthalen-2-ylpropanoylamino)cyclohexene-1-carboxylic acid

Systemtic Name: 5-(2-methylphenyl)-2-(3-naphthalen-2-ylpropanoylamino)cyclohexene-1-carboxylic acid Openeye Name: 2-[3-(2-naphthyl)propanoylamino]-5-(o-tolyl)cyclohexene-1-carboxylic acid CAS Name: 5-(2-methylphenyl)-2-[[3-(2-naphthalenyl)-1-oxopropyl]amino]-1-cyclohexenecarboxylic acid IUPAC Name: 5-(2-methylphenyl)-2-(3-naphthalen-2-ylpropanoylamino)cyclohexene-1-carboxylic acid Traditional Name: 2-[3-(2-naphthyl)propanoylamino]-5-(o-tolyl)cyclohexene-1-carboxylic acid Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CCC(=C(C2)C(=O)O)NC(=O)CCC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=CC=C1C2CCC(=C(C2)C(=O)O)NC(=O)CCC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H27NO3/c1-18-6-2-5-9-23(18)22-13-14-25(24(17-22)27(30)31)28-26(29)15-11-19-10-12-20-7-3-4-8-21(20)16-19/h2-10,12,16,22H,11,13-15,17H2,1H3,(H,28,29)(H,30,31)