4-[[1-(4-chlorophenyl)carbonylpiperidin-4-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[1-(4-chlorophenyl)carbonylpiperidin-4-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[1-[(4-chlorophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[1-(4-chlorobenzoyl)isonipecotoyl]amino]-3-methyl-benzoic acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O4/c1-13-12-16(21(27)28)4-7-18(13)23-19(25)14-8-10-24(11-9-14)20(26)15-2-5-17(22)6-3-15/h2-7,12,14H,8-11H2,1H3,(H,23,25)(H,27,28)