ethyl 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinolin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinolin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-2-quinolyl]piperidine-4-carboxylate CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-2-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinolin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-2-quinolyl]isonipecotic acid ethyl ester Formula: C26H27ClN4O3 MolecularWeight: 478.97058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=C(C=C3)C#N)C(=C2)NCC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=C(C=C3)C#N)C(=C2)NCC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C26H27ClN4O3/c1-3-34-26(32)19-8-10-31(11-9-19)25-14-23(20-12-17(15-28)4-6-22(20)30-25)29-16-18-5-7-24(33-2)21(27)13-18/h4-7,12-14,19H,3,8-11,16H2,1-2H3,(H,29,30)