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

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-phenylsulfanylethyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-(2-phenylsulfanylethyl)piperidine-3-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)propyl]-1-[2-(phenylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(2-phenylsulfanylethyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-[2-(phenylthio)ethyl]nipecotic acid Formula: C27H31ClN2O3S MolecularWeight: 499.06464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3CCN(CC3C(=O)O)CCSC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3CCN(CC3C(=O)O)CCSC4=CC=CC=C4

InChI

InChI=1S/C27H31ClN2O3S/c1-33-20-10-11-26-23(16-20)22(25(28)17-29-26)9-5-6-19-12-13-30(18-24(19)27(31)32)14-15-34-21-7-3-2-4-8-21/h2-4,7-8,10-11,16-17,19,24H,5-6,9,12-15,18H2,1H3,(H,31,32)