ethyl (2R)-1-[5-(azepan-1-ylcarbonyl)-1-(2-methylpropyl)-4-oxidanylidene-pyridin-3-yl]carbonylpiperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-[5-(azepan-1-ylcarbonyl)-1-(2-methylpropyl)-4-oxidanylidene-pyridin-3-yl]carbonylpiperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[5-(azepane-1-carbonyl)-1-isobutyl-4-oxo-pyridine-3-carbonyl]piperidine-2-carboxylate CAS Name: (2R)-1-[[5-[1-azepanyl(oxo)methyl]-1-(2-methylpropyl)-4-oxo-3-pyridinyl]-oxomethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[5-(azepane-1-carbonyl)-1-(2-methylpropyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[5-(azepane-1-carbonyl)-1-isobutyl-4-keto-nicotinoyl]pipecolinic acid ethyl ester Formula: C25H37N3O5 MolecularWeight: 459.57838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)C2=CN(C=C(C2=O)C(=O)N3CCCCCC3)CC(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1C(=O)C2=CN(C=C(C2=O)C(=O)N3CCCCCC3)CC(C)C

InChI

InChI=1S/C25H37N3O5/c1-4-33-25(32)21-11-7-10-14-28(21)24(31)20-17-26(15-18(2)3)16-19(22(20)29)23(30)27-12-8-5-6-9-13-27/h16-18,21H,4-15H2,1-3H3/t21-/m1/s1