4-[3-(methoxyamino)-3-(6-methoxyquinolin-4-yl)propyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidine-3-carboxylic acid

Systemtic Name: 4-[3-(methoxyamino)-3-(6-methoxyquinolin-4-yl)propyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-(methoxyamino)-3-(6-methoxy-4-quinolyl)propyl]-1-[3-(2-thienyl)prop-2-ynyl]piperidine-3-carboxylic acid CAS Name: 4-[3-(methoxyamino)-3-(6-methoxy-4-quinolinyl)propyl]-1-(3-thiophen-2-ylprop-2-ynyl)-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(methoxyamino)-3-(6-methoxyquinolin-4-yl)propyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-(methoxyamino)-3-(6-methoxy-4-quinolyl)propyl]-1-[3-(2-thienyl)prop-2-ynyl]nipecotic acid Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3C(=O)O)CC#CC4=CC=CS4)NOC

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3C(=O)O)CC#CC4=CC=CS4)NOC

InChI

InChI=1S/C27H31N3O4S/c1-33-20-8-10-25-23(17-20)22(11-13-28-25)26(29-34-2)9-7-19-12-15-30(18-24(19)27(31)32)14-3-5-21-6-4-16-35-21/h4,6,8,10-11,13,16-17,19,24,26,29H,7,9,12,14-15,18H2,1-2H3,(H,31,32)