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

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(naphthalen-2-ylmethoxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-(2-naphthylmethoxymethyl)-2-(o-tolyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-(2-naphthalenylmethoxymethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-(naphthalen-2-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[4-(2-naphthylmethoxymethyl)-2-(o-tolyl)benzoyl]amino]butyric acid Formula: C31H31NO4S MolecularWeight: 513.64714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CC4=CC=CC=C4C=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CC4=CC=CC=C4C=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C31H31NO4S/c1-21-7-3-6-10-26(21)28-18-23(12-14-27(28)30(33)32-29(31(34)35)15-16-37-2)20-36-19-22-11-13-24-8-4-5-9-25(24)17-22/h3-14,17-18,29H,15-16,19-20H2,1-2H3,(H,32,33)(H,34,35)