ethyl 1-[5,8-dimethoxy-3-[(phenethylamino)methyl]quinolin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5,8-dimethoxy-3-[(phenethylamino)methyl]quinolin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5,8-dimethoxy-3-[(phenethylamino)methyl]-2-quinolyl]piperidine-4-carboxylate CAS Name: 1-[5,8-dimethoxy-3-[(phenethylamino)methyl]-2-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5,8-dimethoxy-3-[(phenethylamino)methyl]quinolin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5,8-dimethoxy-3-[(phenethylamino)methyl]-2-quinolyl]isonipecotic acid ethyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=CC(=C3C=C2CNCCC4=CC=CC=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=CC(=C3C=C2CNCCC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C28H35N3O4/c1-4-35-28(32)21-13-16-31(17-14-21)27-22(19-29-15-12-20-8-6-5-7-9-20)18-23-24(33-2)10-11-25(34-3)26(23)30-27/h5-11,18,21,29H,4,12-17,19H2,1-3H3