3-[(3,3-dimethyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]-6-[2-(3-methylphenyl)phenyl]hexanoic acid

Systemtic Name: 3-[(3,3-dimethyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]-6-[2-(3-methylphenyl)phenyl]hexanoic acid Openeye Name: 3-[(1-carboxy-2,2-dimethyl-propyl)carbamoyl]-6-[2-(m-tolyl)phenyl]hexanoic acid CAS Name: 3-[[(1-hydroxy-3,3-dimethyl-1-oxobutan-2-yl)amino]-oxomethyl]-6-[2-(3-methylphenyl)phenyl]hexanoic acid IUPAC Name: 3-[(1-hydroxy-3,3-dimethyl-1-oxobutan-2-yl)carbamoyl]-6-[2-(3-methylphenyl)phenyl]hexanoic acid Traditional Name: 3-[(1-carboxy-2,2-dimethyl-propyl)carbamoyl]-6-[2-(m-tolyl)phenyl]hexanoic acid Formula: C26H33NO5 MolecularWeight: 439.54392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=CC=C2CCCC(CC(=O)O)C(=O)NC(C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=CC=C2CCCC(CC(=O)O)C(=O)NC(C(=O)O)C(C)(C)C

InChI

InChI=1S/C26H33NO5/c1-17-9-7-12-19(15-17)21-14-6-5-10-18(21)11-8-13-20(16-22(28)29)24(30)27-23(25(31)32)26(2,3)4/h5-7,9-10,12,14-15,20,23H,8,11,13,16H2,1-4H3,(H,27,30)(H,28,29)(H,31,32)