methyl 3-[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenyl-ethyl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenyl-ethyl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-[1-[methyl(4-pyridylmethyl)amino]-2-phenyl-ethyl]piperidine-1-carbonyl]benzoate CAS Name: 3-[[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]benzoate Traditional Name: 3-[4-[1-[methyl(4-pyridylmethyl)amino]-2-phenyl-ethyl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NC=C1)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)C4=CC(=CC=C4)C(=O)OC

Isomeric SMILES

CN(CC1=CC=NC=C1)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)C4=CC(=CC=C4)C(=O)OC

InChI

InChI=1S/C29H33N3O3/c1-31(21-23-11-15-30-16-12-23)27(19-22-7-4-3-5-8-22)24-13-17-32(18-14-24)28(33)25-9-6-10-26(20-25)29(34)35-2/h3-12,15-16,20,24,27H,13-14,17-19,21H2,1-2H3