2-[[1-[2-(2-phenylpropan-2-ylsulfanyl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]ethanoic acid

Systemtic Name: 2-[[1-[2-(2-phenylpropan-2-ylsulfanyl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]ethanoic acid Openeye Name: 2-[[1-[2-(1-methyl-1-phenyl-ethyl)sulfanylethyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid CAS Name: 2-[[1-[2-(2-phenylpropan-2-ylthio)ethyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid IUPAC Name: 2-[[1-[2-(2-phenylpropan-2-ylsulfanyl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid Traditional Name: 2-[[1-[2-(cumylthio)ethyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)SCCN2CCCC3=C2C=CC=C3OCC(=O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)SCCN2CCCC3=C2C=CC=C3OCC(=O)O

InChI

InChI=1S/C22H27NO3S/c1-22(2,17-8-4-3-5-9-17)27-15-14-23-13-7-10-18-19(23)11-6-12-20(18)26-16-21(24)25/h3-6,8-9,11-12H,7,10,13-16H2,1-2H3,(H,24,25)