1-[3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]carbonylpiperidine-3-carboxylic acid Openeye Name: 1-[3-[[3,3-bis(4-methoxyphenyl)-1-piperidyl]methyl]benzoyl]piperidine-3-carboxylic acid CAS Name: 1-[[3-[[3,3-bis(4-methoxyphenyl)-1-piperidinyl]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]benzoyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-[[3,3-bis(4-methoxyphenyl)piperidino]methyl]benzoyl]nipecotic acid Formula: C33H38N2O5 MolecularWeight: 542.66522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CCCN(C2)CC3=CC=CC(=C3)C(=O)N4CCCC(C4)C(=O)O)C5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2(CCCN(C2)CC3=CC=CC(=C3)C(=O)N4CCCC(C4)C(=O)O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C33H38N2O5/c1-39-29-13-9-27(10-14-29)33(28-11-15-30(40-2)16-12-28)17-5-18-34(23-33)21-24-6-3-7-25(20-24)31(36)35-19-4-8-26(22-35)32(37)38/h3,6-7,9-16,20,26H,4-5,8,17-19,21-23H2,1-2H3,(H,37,38)