2-[methyl-[2-(2-methylphenyl)-4-(4-phenylbutoxymethyl)phenyl]carbonyl-amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[methyl-[2-(2-methylphenyl)-4-(4-phenylbutoxymethyl)phenyl]carbonyl-amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[methyl-[2-(o-tolyl)-4-(4-phenylbutoxymethyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[methyl-[[2-(2-methylphenyl)-4-(4-phenylbutoxymethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[methyl-[2-(2-methylphenyl)-4-(4-phenylbutoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[methyl-[2-(o-tolyl)-4-(4-phenylbutoxymethyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C31H37NO4S MolecularWeight: 519.69478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COCCCCC3=CC=CC=C3)C(=O)N(C)C(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COCCCCC3=CC=CC=C3)C(=O)N(C)C(CCSC)C(=O)O

InChI

InChI=1S/C31H37NO4S/c1-23-11-7-8-15-26(23)28-21-25(22-36-19-10-9-14-24-12-5-4-6-13-24)16-17-27(28)30(33)32(2)29(31(34)35)18-20-37-3/h4-8,11-13,15-17,21,29H,9-10,14,18-20,22H2,1-3H3,(H,34,35)