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

Systemtic Name: 2-[[5-butyl-2-oxidanylidene-3-(phenylmethyl)imidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3-benzyl-5-butyl-2-oxo-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[[5-butyl-2-oxo-3-(phenylmethyl)-1-imidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(3-benzyl-5-butyl-2-oxoimidazol-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3-benzyl-5-butyl-2-keto-4-imidazolin-1-yl)methyl]-6-phenyl-benzoic acid Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CN(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O3/c1-2-3-16-24-20-29(18-21-11-6-4-7-12-21)28(33)30(24)19-23-15-10-17-25(26(23)27(31)32)22-13-8-5-9-14-22/h4-15,17,20H,2-3,16,18-19H2,1H3,(H,31,32)