ethyl 1-[(3S)-1-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)piperidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3S)-1-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)piperidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[(3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(3S)-1-(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)nipecotoyl]isonipecotic acid ethyl ester Formula: C29H32ClN3O4 MolecularWeight: 522.03508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)C3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H]2CCCN(C2)C3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5

InChI

InChI=1S/C29H32ClN3O4/c1-2-37-29(36)20-12-15-32(16-13-20)28(35)21-9-6-14-33(18-21)26-25(19-7-4-3-5-8-19)23-17-22(30)10-11-24(23)31-27(26)34/h3-5,7-8,10-11,17,20-21H,2,6,9,12-16,18H2,1H3,(H,31,34)/t21-/m0/s1