ethyl (3S)-1-[5-(cycloheptylcarbamoyl)-1-cyclopropyl-4-oxidanylidene-pyridin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[5-(cycloheptylcarbamoyl)-1-cyclopropyl-4-oxidanylidene-pyridin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[5-(cycloheptylcarbamoyl)-1-cyclopropyl-4-oxo-pyridine-3-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[5-[(cycloheptylamino)-oxomethyl]-1-cyclopropyl-4-oxo-3-pyridinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[5-(cycloheptylcarbamoyl)-1-cyclopropyl-4-oxopyridine-3-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-(cycloheptylcarbamoyl)-1-cyclopropyl-4-keto-nicotinoyl]nipecotic acid ethyl ester Formula: C25H35N3O5 MolecularWeight: 457.5625

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CN(C=C(C2=O)C(=O)NC3CCCCCC3)C4CC4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CN(C=C(C2=O)C(=O)NC3CCCCCC3)C4CC4

InChI

InChI=1S/C25H35N3O5/c1-2-33-25(32)17-8-7-13-27(14-17)24(31)21-16-28(19-11-12-19)15-20(22(21)29)23(30)26-18-9-5-3-4-6-10-18/h15-19H,2-14H2,1H3,(H,26,30)/t17-/m0/s1