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

Systemtic Name: 2-[[1-[2-(diphenylmethyl)sulfanylethyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]ethanoic acid Openeye Name: 2-[[1-(2-benzhydrylsulfanylethyl)-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid CAS Name: 2-[[1-[2-[(diphenylmethyl)thio]ethyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid IUPAC Name: 2-[[1-(2-benzhydrylsulfanylethyl)-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid Traditional Name: 2-[[1-[2-(benzhydrylthio)ethyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2OCC(=O)O)N(C1)CCSC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C=CC=C2OCC(=O)O)N(C1)CCSC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27NO3S/c28-25(29)19-30-24-15-7-14-23-22(24)13-8-16-27(23)17-18-31-26(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-7,9-12,14-15,26H,8,13,16-19H2,(H,28,29)