ethyl 1-[(2-benzamido-4,5-dimethyl-thiophen-3-yl)-pyridin-3-yl-methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-benzamido-4,5-dimethyl-thiophen-3-yl)-pyridin-3-yl-methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-benzamido-4,5-dimethyl-3-thienyl)-(3-pyridyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(2-benzamido-4,5-dimethyl-3-thiophenyl)-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-benzamido-4,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]piperidine-4-carboxylate Traditional Name: 1-[(2-benzamido-4,5-dimethyl-3-thienyl)-(3-pyridyl)methyl]isonipecotic acid ethyl ester Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CN=CC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CN=CC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-4-33-27(32)21-12-15-30(16-13-21)24(22-11-8-14-28-17-22)23-18(2)19(3)34-26(23)29-25(31)20-9-6-5-7-10-20/h5-11,14,17,21,24H,4,12-13,15-16H2,1-3H3,(H,29,31)