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

Systemtic Name: 3-[1-[2-(diphenylmethyl)sulfanylethyl]-3,4-dihydro-2H-quinolin-5-yl]propanoic acid Openeye Name: 3-[1-(2-benzhydrylsulfanylethyl)-3,4-dihydro-2H-quinolin-5-yl]propanoic acid CAS Name: 3-[1-[2-[(diphenylmethyl)thio]ethyl]-3,4-dihydro-2H-quinolin-5-yl]propanoic acid IUPAC Name: 3-[1-(2-benzhydrylsulfanylethyl)-3,4-dihydro-2H-quinolin-5-yl]propanoic acid Traditional Name: 3-[1-[2-(benzhydrylthio)ethyl]-3,4-dihydro-2H-quinolin-5-yl]propionic acid Formula: C27H29NO2S MolecularWeight: 431.58966

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO2S/c29-26(30)17-16-21-13-7-15-25-24(21)14-8-18-28(25)19-20-31-27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-7,9-13,15,27H,8,14,16-20H2,(H,29,30)