4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-1-(4-thiophen-2-ylbutyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-1-(4-thiophen-2-ylbutyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-1-[4-(2-thienyl)butyl]piperidine-4-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-hydroxypropyl]-1-(4-thiophen-2-ylbutyl)-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-(4-thiophen-2-ylbutyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-1-[4-(2-thienyl)butyl]isonipecotic acid Formula: C27H33ClN2O4S MolecularWeight: 517.07992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3(CCN(CC3)CCCCC4=CC=CS4)C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3(CCN(CC3)CCCCC4=CC=CS4)C(=O)O)O

InChI

InChI=1S/C27H33ClN2O4S/c1-34-19-7-8-23-21(17-19)25(22(28)18-29-23)24(31)9-10-27(26(32)33)11-14-30(15-12-27)13-3-2-5-20-6-4-16-35-20/h4,6-8,16-18,24,31H,2-3,5,9-15H2,1H3,(H,32,33)