2-[[2-(2-methylphenyl)-4-(2-naphthalen-2-ylethoxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(2-naphthalen-2-ylethoxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-[2-(2-naphthyl)ethoxymethyl]-2-(o-tolyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[2-(2-naphthalenyl)ethoxymethyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-(2-naphthalen-2-ylethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[4-[2-(2-naphthyl)ethoxymethyl]-2-(o-tolyl)benzoyl]amino]butyric acid Formula: C32H33NO4S MolecularWeight: 527.67372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COCCC3=CC4=CC=CC=C4C=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COCCC3=CC4=CC=CC=C4C=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C32H33NO4S/c1-22-7-3-6-10-27(22)29-20-24(12-14-28(29)31(34)33-30(32(35)36)16-18-38-2)21-37-17-15-23-11-13-25-8-4-5-9-26(25)19-23/h3-14,19-20,30H,15-18,21H2,1-2H3,(H,33,34)(H,35,36)