ethyl 1-[1-[2-[methyl-(phenylmethyl)amino]-6-thiophen-3-yl-pyridin-3-yl]carbonylpiperidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-[2-[methyl-(phenylmethyl)amino]-6-thiophen-3-yl-pyridin-3-yl]carbonylpiperidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[1-[2-[benzyl(methyl)amino]-6-(3-thienyl)pyridine-3-carbonyl]-4-piperidyl]piperidine-3-carboxylate CAS Name: 1-[1-[[2-[methyl-(phenylmethyl)amino]-6-(3-thiophenyl)-3-pyridinyl]-oxomethyl]-4-piperidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[2-[benzyl(methyl)amino]-6-thiophen-3-ylpyridine-3-carbonyl]piperidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[1-[2-[benzyl(methyl)amino]-6-(3-thienyl)nicotinoyl]-4-piperidyl]nipecotic acid ethyl ester Formula: C31H38N4O3S MolecularWeight: 546.72342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2CCN(CC2)C(=O)C3=C(N=C(C=C3)C4=CSC=C4)N(C)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2CCN(CC2)C(=O)C3=C(N=C(C=C3)C4=CSC=C4)N(C)CC5=CC=CC=C5

InChI

InChI=1S/C31H38N4O3S/c1-3-38-31(37)24-10-7-16-35(21-24)26-13-17-34(18-14-26)30(36)27-11-12-28(25-15-19-39-22-25)32-29(27)33(2)20-23-8-5-4-6-9-23/h4-6,8-9,11-12,15,19,22,24,26H,3,7,10,13-14,16-18,20-21H2,1-2H3