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

Systemtic Name: 2-[[1-[3-(diphenylmethyl)sulfanylpropyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]ethanoic acid Openeye Name: 2-[[1-(3-benzhydrylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid CAS Name: 2-[[1-[3-[(diphenylmethyl)thio]propyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid IUPAC Name: 2-[[1-(3-benzhydrylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid Traditional Name: 2-[[1-[3-(benzhydrylthio)propyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid Formula: C27H29NO3S MolecularWeight: 447.58906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO3S/c29-26(30)20-31-25-16-7-15-24-23(25)14-8-17-28(24)18-9-19-32-27(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-7,10-13,15-16,27H,8-9,14,17-20H2,(H,29,30)