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

Systemtic Name: ethyl 1-[8-methyl-3-[(thiophen-2-ylmethylamino)methyl]quinolin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[8-methyl-3-[(2-thienylmethylamino)methyl]-2-quinolyl]piperidine-4-carboxylate CAS Name: 1-[8-methyl-3-[(thiophen-2-ylmethylamino)methyl]-2-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[8-methyl-3-[(thiophen-2-ylmethylamino)methyl]quinolin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[8-methyl-3-[(2-thenylamino)methyl]-2-quinolyl]isonipecotic acid ethyl ester Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C3C=CC=C(C3=N2)C)CNCC4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C3C=CC=C(C3=N2)C)CNCC4=CC=CS4

InChI

InChI=1S/C24H29N3O2S/c1-3-29-24(28)18-9-11-27(12-10-18)23-20(15-25-16-21-8-5-13-30-21)14-19-7-4-6-17(2)22(19)26-23/h4-8,13-14,18,25H,3,9-12,15-16H2,1-2H3