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

Systemtic Name: 2-[(3-butyl-5-cyclohexyl-2-oxidanylidene-imidazol-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3-butyl-5-cyclohexyl-2-oxo-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(3-butyl-5-cyclohexyl-2-oxo-1-imidazolyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(3-butyl-5-cyclohexyl-2-oxoimidazol-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3-butyl-5-cyclohexyl-2-keto-4-imidazolin-1-yl)methyl]-6-phenyl-benzoic acid Formula: C27H32N2O3 MolecularWeight: 432.55458

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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)C4CCCCC4

Isomeric SMILES

CCCCN1C=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C27H32N2O3/c1-2-3-17-28-19-24(21-13-8-5-9-14-21)29(27(28)32)18-22-15-10-16-23(25(22)26(30)31)20-11-6-4-7-12-20/h4,6-7,10-12,15-16,19,21H,2-3,5,8-9,13-14,17-18H2,1H3,(H,30,31)