ethyl 1-[6,7-dimethoxy-3-[(thiophen-2-ylmethylamino)methyl]quinolin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6,7-dimethoxy-3-[(thiophen-2-ylmethylamino)methyl]quinolin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6,7-dimethoxy-3-[(2-thienylmethylamino)methyl]-2-quinolyl]piperidine-3-carboxylate CAS Name: 1-[6,7-dimethoxy-3-[(thiophen-2-ylmethylamino)methyl]-2-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6,7-dimethoxy-3-[(thiophen-2-ylmethylamino)methyl]quinolin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[6,7-dimethoxy-3-[(2-thenylamino)methyl]-2-quinolyl]nipecotic acid ethyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=C3C=C(C(=CC3=N2)OC)OC)CNCC4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=C3C=C(C(=CC3=N2)OC)OC)CNCC4=CC=CS4

InChI

InChI=1S/C25H31N3O4S/c1-4-32-25(29)17-7-5-9-28(16-17)24-19(14-26-15-20-8-6-10-33-20)11-18-12-22(30-2)23(31-3)13-21(18)27-24/h6,8,10-13,17,26H,4-5,7,9,14-16H2,1-3H3