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

Systemtic Name: 3-butyl-1-[(2-carboxyoxy-3-phenyl-phenyl)methyl]-5-(3-methylbutyl)-2-oxidanylidene-imidazole-4-carboxylic acid Openeye Name: 3-butyl-1-[(2-carboxyoxy-3-phenyl-phenyl)methyl]-5-isopentyl-2-oxo-imidazole-4-carboxylic acid CAS Name: 3-butyl-1-[(2-carboxyoxy-3-phenylphenyl)methyl]-5-(3-methylbutyl)-2-oxo-4-imidazolecarboxylic acid IUPAC Name: 3-butyl-1-[(2-carboxyoxy-3-phenylphenyl)methyl]-5-(3-methylbutyl)-2-oxoimidazole-4-carboxylic acid Traditional Name: 3-butyl-1-(2-carboxyoxy-3-phenyl-benzyl)-5-isoamyl-2-keto-4-imidazoline-4-carboxylic acid Formula: C27H32N2O6 MolecularWeight: 480.55278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N(C1=O)CC2=CC=CC(=C2OC(=O)O)C3=CC=CC=C3)CCC(C)C)C(=O)O

Isomeric SMILES

CCCCN1C(=C(N(C1=O)CC2=CC=CC(=C2OC(=O)O)C3=CC=CC=C3)CCC(C)C)C(=O)O

InChI

InChI=1S/C27H32N2O6/c1-4-5-16-28-23(25(30)31)22(15-14-18(2)3)29(26(28)32)17-20-12-9-13-21(24(20)35-27(33)34)19-10-7-6-8-11-19/h6-13,18H,4-5,14-17H2,1-3H3,(H,30,31)(H,33,34)