ethyl 4-(3-phenylpropyl)-1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-(3-phenylpropyl)-1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-4-carboxylate Openeye Name: ethyl 4-(3-phenylpropyl)-1-[2-(4-pyridylsulfanyl)acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(pyridin-4-ylthio)ethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-phenylpropyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperidine-4-carboxylate Traditional Name: 4-(3-phenylpropyl)-1-[2-(4-pyridylthio)acetyl]isonipecotic acid ethyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CSC2=CC=NC=C2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CSC2=CC=NC=C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O3S/c1-2-29-23(28)24(12-6-9-20-7-4-3-5-8-20)13-17-26(18-14-24)22(27)19-30-21-10-15-25-16-11-21/h3-5,7-8,10-11,15-16H,2,6,9,12-14,17-19H2,1H3