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

Systemtic Name: 3-[1-[2-(1,1-diphenylethylsulfanyl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]propanoic acid Openeye Name: 3-[1-[2-(1,1-diphenylethylsulfanyl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]propanoic acid CAS Name: 3-[1-[2-(1,1-diphenylethylthio)ethyl]-3,4-dihydro-2H-quinolin-5-yl]propanoic acid IUPAC Name: 3-[1-[2-(1,1-diphenylethylsulfanyl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]propanoic acid Traditional Name: 3-[1-[2-(1,1-diphenylethylthio)ethyl]-3,4-dihydro-2H-quinolin-5-yl]propionic acid Formula: C28H31NO2S MolecularWeight: 445.61624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO2S/c1-28(23-11-4-2-5-12-23,24-13-6-3-7-14-24)32-21-20-29-19-9-15-25-22(17-18-27(30)31)10-8-16-26(25)29/h2-8,10-14,16H,9,15,17-21H2,1H3,(H,30,31)