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

Systemtic Name: 2-[[3-butyl-5-(3-methyl-5-oxidanylidene-pentyl)-2-oxidanylidene-imidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[3-butyl-5-(3-methyl-5-oxo-pentyl)-2-oxo-imidazol-1-yl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[3-butyl-5-(3-methyl-5-oxopentyl)-2-oxo-1-imidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[3-butyl-5-(3-methyl-5-oxopentyl)-2-oxoimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[3-butyl-2-keto-5-(5-keto-3-methyl-pentyl)-4-imidazolin-1-yl]methyl]-6-phenyl-benzoic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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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)CC=O

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4/c1-3-4-16-28-19-23(14-13-20(2)15-17-30)29(27(28)33)18-22-11-8-12-24(25(22)26(31)32)21-9-6-5-7-10-21/h5-12,17,19-20H,3-4,13-16,18H2,1-2H3,(H,31,32)