1-[(2-carboxyoxy-3-phenyl-phenyl)methyl]-3,5-bis(3-methylbutyl)-2-oxidanylidene-imidazole-4-carboxylic acid

Systemtic Name: 1-[(2-carboxyoxy-3-phenyl-phenyl)methyl]-3,5-bis(3-methylbutyl)-2-oxidanylidene-imidazole-4-carboxylic acid Openeye Name: 1-[(2-carboxyoxy-3-phenyl-phenyl)methyl]-3,5-diisopentyl-2-oxo-imidazole-4-carboxylic acid CAS Name: 1-[(2-carboxyoxy-3-phenylphenyl)methyl]-3,5-bis(3-methylbutyl)-2-oxo-4-imidazolecarboxylic acid IUPAC Name: 1-[(2-carboxyoxy-3-phenylphenyl)methyl]-3,5-bis(3-methylbutyl)-2-oxoimidazole-4-carboxylic acid Traditional Name: 1-(2-carboxyoxy-3-phenyl-benzyl)-3,5-diisoamyl-2-keto-4-imidazoline-4-carboxylic acid Formula: C28H34N2O6 MolecularWeight: 494.57936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(N(C(=O)N1CC2=CC=CC(=C2OC(=O)O)C3=CC=CC=C3)CCC(C)C)C(=O)O

Isomeric SMILES

CC(C)CCC1=C(N(C(=O)N1CC2=CC=CC(=C2OC(=O)O)C3=CC=CC=C3)CCC(C)C)C(=O)O

InChI

InChI=1S/C28H34N2O6/c1-18(2)13-14-23-24(26(31)32)29(16-15-19(3)4)27(33)30(23)17-21-11-8-12-22(25(21)36-28(34)35)20-9-6-5-7-10-20/h5-12,18-19H,13-17H2,1-4H3,(H,31,32)(H,34,35)