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

Systemtic Name: 4-[4-[3-[(3-tert-butylphenyl)carbamoyl]phenyl]piperidin-1-yl]-2-methyl-benzoic acid Openeye Name: 4-[4-[3-[(3-tert-butylphenyl)carbamoyl]phenyl]-1-piperidyl]-2-methyl-benzoic acid CAS Name: 4-[4-[3-[(3-tert-butylanilino)-oxomethyl]phenyl]-1-piperidinyl]-2-methylbenzoic acid IUPAC Name: 4-[4-[3-[(3-tert-butylphenyl)carbamoyl]phenyl]piperidin-1-yl]-2-methylbenzoic acid Traditional Name: 4-[4-[3-[(3-tert-butylphenyl)carbamoyl]phenyl]piperidino]-2-methyl-benzoic acid Formula: C30H34N2O3 MolecularWeight: 470.60256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCC(CC2)C3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCC(CC2)C3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(C)(C)C)C(=O)O

InChI

InChI=1S/C30H34N2O3/c1-20-17-26(11-12-27(20)29(34)35)32-15-13-21(14-16-32)22-7-5-8-23(18-22)28(33)31-25-10-6-9-24(19-25)30(2,3)4/h5-12,17-19,21H,13-16H2,1-4H3,(H,31,33)(H,34,35)