2-[[2-(2-methylphenyl)-4-(naphthalen-1-ylmethoxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(naphthalen-1-ylmethoxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-(1-naphthylmethoxymethyl)-2-(o-tolyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-(1-naphthalenylmethoxymethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-(naphthalen-1-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[4-(1-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=CC=CC4=CC=CC=C43)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CC=CC4=CC=CC=C43)C(=O)NC(CCSC)C(=O)O

InChI

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