(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3CCN(CC3)C(=O)C4=CC=CS4)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3CCN(CC3)C(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-28-17-5-4-15-11-16(20(23)24-18(15)12-17)13-29-22(27)14-6-8-25(9-7-14)21(26)19-3-2-10-30-19/h2-5,10-12,14H,6-9,13H2,1H3