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

Systemtic Name: 4-[1-[2-(diphenylmethyl)sulfanylethyl]-3,4-dihydro-2H-quinolin-5-yl]butanoic acid Openeye Name: 4-[1-(2-benzhydrylsulfanylethyl)-3,4-dihydro-2H-quinolin-5-yl]butanoic acid CAS Name: 4-[1-[2-[(diphenylmethyl)thio]ethyl]-3,4-dihydro-2H-quinolin-5-yl]butanoic acid IUPAC Name: 4-[1-(2-benzhydrylsulfanylethyl)-3,4-dihydro-2H-quinolin-5-yl]butanoic acid Traditional Name: 4-[1-[2-(benzhydrylthio)ethyl]-3,4-dihydro-2H-quinolin-5-yl]butyric acid Formula: C28H31NO2S MolecularWeight: 445.61624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)CCSC(C3=CC=CC=C3)C4=CC=CC=C4)CCCC(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)CCSC(C3=CC=CC=C3)C4=CC=CC=C4)CCCC(=O)O

InChI

InChI=1S/C28H31NO2S/c30-27(31)18-8-15-22-14-7-17-26-25(22)16-9-19-29(26)20-21-32-28(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-7,10-14,17,28H,8-9,15-16,18-21H2,(H,30,31)