2-[[2-(2-methylphenyl)-4-(1-phenylpentoxymethyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(1-phenylpentoxymethyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 4-methylsulfonyl-2-[[2-(o-tolyl)-4-(1-phenylpentoxymethyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-(1-phenylpentoxymethyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-(1-phenylpentoxymethyl)benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-[[2-(o-tolyl)-4-(1-phenylpentoxymethyl)benzoyl]amino]butyric acid Formula: C31H37NO6S MolecularWeight: 551.69358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)OCC2=CC(=C(C=C2)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCCCC(C1=CC=CC=C1)OCC2=CC(=C(C=C2)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C31H37NO6S/c1-4-5-15-29(24-12-7-6-8-13-24)38-21-23-16-17-26(27(20-23)25-14-10-9-11-22(25)2)30(33)32-28(31(34)35)18-19-39(3,36)37/h6-14,16-17,20,28-29H,4-5,15,18-19,21H2,1-3H3,(H,32,33)(H,34,35)