2-[4-[[5-[(E)-but-1-enyl]-2-oxidanylidene-3-phenethyl-imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[5-[(E)-but-1-enyl]-2-oxidanylidene-3-phenethyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-[(E)-but-1-enyl]-2-oxo-3-phenethyl-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-[(E)-but-1-enyl]-2-oxo-3-phenethyl-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-[(E)-but-1-enyl]-2-oxo-3-phenethylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-[(E)-but-1-enyl]-2-keto-3-phenethyl-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

CC/C=C/C1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H28N2O3/c1-2-3-11-25-21-30(19-18-22-9-5-4-6-10-22)29(34)31(25)20-23-14-16-24(17-15-23)26-12-7-8-13-27(26)28(32)33/h3-17,21H,2,18-20H2,1H3,(H,32,33)/b11-3+