3-[[4-[di(propan-2-yl)carbamoyl]phenyl]-[1-(phenylmethyl)piperidin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[4-[di(propan-2-yl)carbamoyl]phenyl]-[1-(phenylmethyl)piperidin-4-yl]amino]benzoic acid Openeye Name: 3-[N-(1-benzyl-4-piperidyl)-4-(diisopropylcarbamoyl)anilino]benzoic acid CAS Name: 3-[4-[[di(propan-2-yl)amino]-oxomethyl]-N-[1-(phenylmethyl)-4-piperidinyl]anilino]benzoic acid IUPAC Name: 3-[N-(1-benzylpiperidin-4-yl)-4-[di(propan-2-yl)carbamoyl]anilino]benzoic acid Traditional Name: 3-[N-(1-benzyl-4-piperidyl)-4-(diisopropylcarbamoyl)anilino]benzoic acid Formula: C32H39N3O3 MolecularWeight: 513.67036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)N(C2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)N(C2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C32H39N3O3/c1-23(2)34(24(3)4)31(36)26-13-15-28(16-14-26)35(30-12-8-11-27(21-30)32(37)38)29-17-19-33(20-18-29)22-25-9-6-5-7-10-25/h5-16,21,23-24,29H,17-20,22H2,1-4H3,(H,37,38)