2-[[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-yl-phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-yl-phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-(1-piperidyl)-3-(p-tolylcarbamoyl)phenyl]carbamoyl]benzoic acid CAS Name: 2-[[3-[(4-methylanilino)-oxomethyl]-4-(1-piperidinyl)anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-piperidino-3-(p-tolylcarbamoyl)phenyl]carbamoyl]benzoic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3C(=O)O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3C(=O)O)N4CCCCC4

InChI

InChI=1S/C27H27N3O4/c1-18-9-11-19(12-10-18)28-26(32)23-17-20(13-14-24(23)30-15-5-2-6-16-30)29-25(31)21-7-3-4-8-22(21)27(33)34/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,28,32)(H,29,31)(H,33,34)