2-[[2-(2-methylphenyl)-4-(4-naphthalen-2-yl-4-oxidanyl-butyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(4-naphthalen-2-yl-4-oxidanyl-butyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[4-hydroxy-4-(2-naphthyl)butyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[4-hydroxy-4-(2-naphthalenyl)butyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(4-hydroxy-4-naphthalen-2-ylbutyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[4-hydroxy-4-(2-naphthyl)butyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C33H35NO4S MolecularWeight: 541.7003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CCCC(C3=CC4=CC=CC=C4C=C3)O)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CCCC(C3=CC4=CC=CC=C4C=C3)O)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C33H35NO4S/c1-22-8-3-6-12-27(22)29-20-23(14-17-28(29)32(36)34-30(33(37)38)18-19-39-2)9-7-13-31(35)26-16-15-24-10-4-5-11-25(24)21-26/h3-6,8,10-12,14-17,20-21,30-31,35H,7,9,13,18-19H2,1-2H3,(H,34,36)(H,37,38)