ethyl 1-[1-[(2-methoxyphenyl)amino]isoquinolin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[(2-methoxyphenyl)amino]isoquinolin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(2-methoxyanilino)isoquinoline-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(2-methoxyanilino)-4-isoquinolinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(2-methoxyanilino)isoquinoline-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(o-anisidino)isoquinoline-4-carbonyl]isonipecotic acid ethyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=CC=C4OC

InChI

InChI=1S/C25H27N3O4/c1-3-32-25(30)17-12-14-28(15-13-17)24(29)20-16-26-23(19-9-5-4-8-18(19)20)27-21-10-6-7-11-22(21)31-2/h4-11,16-17H,3,12-15H2,1-2H3,(H,26,27)