2-[[5-butyl-3-(3-methylbutyl)-2-oxidanylidene-imidazol-1-yl]methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[[5-butyl-3-(3-methylbutyl)-2-oxidanylidene-imidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(5-butyl-3-isopentyl-2-oxo-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[[5-butyl-3-(3-methylbutyl)-2-oxo-1-imidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[5-butyl-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[(5-butyl-3-isoamyl-2-keto-4-imidazolin-1-yl)methyl]-6-phenyl-benzoic acid Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC(C)C

Isomeric SMILES

CCCCC1=CN(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC(C)C

InChI

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