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

Systemtic Name: ethyl 1-[5,8-dimethoxy-3-[(thiophen-2-ylmethylamino)methyl]quinolin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5,8-dimethoxy-3-[(2-thienylmethylamino)methyl]-2-quinolyl]piperidine-4-carboxylate CAS Name: 1-[5,8-dimethoxy-3-[(thiophen-2-ylmethylamino)methyl]-2-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5,8-dimethoxy-3-[(thiophen-2-ylmethylamino)methyl]quinolin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5,8-dimethoxy-3-[(2-thenylamino)methyl]-2-quinolyl]isonipecotic acid ethyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=CC(=C3C=C2CNCC4=CC=CS4)OC)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=CC(=C3C=C2CNCC4=CC=CS4)OC)OC

InChI

InChI=1S/C25H31N3O4S/c1-4-32-25(29)17-9-11-28(12-10-17)24-18(15-26-16-19-6-5-13-33-19)14-20-21(30-2)7-8-22(31-3)23(20)27-24/h5-8,13-14,17,26H,4,9-12,15-16H2,1-3H3