4-[1-[2-(1,1-diphenylethylsulfanyl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]butanoic acid

Systemtic Name: 4-[1-[2-(1,1-diphenylethylsulfanyl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]butanoic acid Openeye Name: 4-[1-[2-(1,1-diphenylethylsulfanyl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]butanoic acid CAS Name: 4-[1-[2-(1,1-diphenylethylthio)ethyl]-3,4-dihydro-2H-quinolin-5-yl]butanoic acid IUPAC Name: 4-[1-[2-(1,1-diphenylethylsulfanyl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]butanoic acid Traditional Name: 4-[1-[2-(1,1-diphenylethylthio)ethyl]-3,4-dihydro-2H-quinolin-5-yl]butyric acid Formula: C29H33NO2S MolecularWeight: 459.64282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)SCCN3CCCC4=C(C=CC=C43)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)SCCN3CCCC4=C(C=CC=C43)CCCC(=O)O

InChI

InChI=1S/C29H33NO2S/c1-29(24-13-4-2-5-14-24,25-15-6-3-7-16-25)33-22-21-30-20-10-17-26-23(11-8-18-27(26)30)12-9-19-28(31)32/h2-8,11,13-16,18H,9-10,12,17,19-22H2,1H3,(H,31,32)