4-[4-[3-[(3-tert-butylphenyl)carbamoyl]phenyl]piperidin-1-yl]-2-chloranyl-benzoic acid

Systemtic Name: 4-[4-[3-[(3-tert-butylphenyl)carbamoyl]phenyl]piperidin-1-yl]-2-chloranyl-benzoic acid Openeye Name: 4-[4-[3-[(3-tert-butylphenyl)carbamoyl]phenyl]-1-piperidyl]-2-chloro-benzoic acid CAS Name: 4-[4-[3-[(3-tert-butylanilino)-oxomethyl]phenyl]-1-piperidinyl]-2-chlorobenzoic acid IUPAC Name: 4-[4-[3-[(3-tert-butylphenyl)carbamoyl]phenyl]piperidin-1-yl]-2-chlorobenzoic acid Traditional Name: 4-[4-[3-[(3-tert-butylphenyl)carbamoyl]phenyl]piperidino]-2-chloro-benzoic acid Formula: C29H31ClN2O3 MolecularWeight: 491.02104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)C3CCN(CC3)C4=CC(=C(C=C4)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)C3CCN(CC3)C4=CC(=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C29H31ClN2O3/c1-29(2,3)22-8-5-9-23(17-22)31-27(33)21-7-4-6-20(16-21)19-12-14-32(15-13-19)24-10-11-25(28(34)35)26(30)18-24/h4-11,16-19H,12-15H2,1-3H3,(H,31,33)(H,34,35)