2-[[3-butyl-4-methyl-5-(3-methylbutyl)-2-oxidanylidene-imidazol-1-yl]methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[[3-butyl-4-methyl-5-(3-methylbutyl)-2-oxidanylidene-imidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3-butyl-5-isopentyl-4-methyl-2-oxo-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[[3-butyl-4-methyl-5-(3-methylbutyl)-2-oxo-1-imidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[3-butyl-4-methyl-5-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3-butyl-5-isoamyl-2-keto-4-methyl-4-imidazolin-1-yl)methyl]-6-phenyl-benzoic acid Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC(C)C)C

Isomeric SMILES

CCCCN1C(=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC(C)C)C

InChI

InChI=1S/C27H34N2O3/c1-5-6-17-28-20(4)24(16-15-19(2)3)29(27(28)32)18-22-13-10-14-23(25(22)26(30)31)21-11-8-7-9-12-21/h7-14,19H,5-6,15-18H2,1-4H3,(H,30,31)