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

Systemtic Name: 3-butyl-5-(3-methylbutyl)-2-oxidanylidene-1-[(2-phenylphenyl)methyl]imidazole-4-carboxylic acid Openeye Name: 3-butyl-5-isopentyl-2-oxo-1-[(2-phenylphenyl)methyl]imidazole-4-carboxylic acid CAS Name: 3-butyl-5-(3-methylbutyl)-2-oxo-1-[(2-phenylphenyl)methyl]-4-imidazolecarboxylic acid IUPAC Name: 3-butyl-5-(3-methylbutyl)-2-oxo-1-[(2-phenylphenyl)methyl]imidazole-4-carboxylic acid Traditional Name: 3-butyl-5-isoamyl-2-keto-1-(2-phenylbenzyl)-4-imidazoline-4-carboxylic acid Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N(C1=O)CC2=CC=CC=C2C3=CC=CC=C3)CCC(C)C)C(=O)O

Isomeric SMILES

CCCCN1C(=C(N(C1=O)CC2=CC=CC=C2C3=CC=CC=C3)CCC(C)C)C(=O)O

InChI

InChI=1S/C26H32N2O3/c1-4-5-17-27-24(25(29)30)23(16-15-19(2)3)28(26(27)31)18-21-13-9-10-14-22(21)20-11-7-6-8-12-20/h6-14,19H,4-5,15-18H2,1-3H3,(H,29,30)