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

Systemtic Name: 2-[(5-butyl-2-oxidanylidene-3-phenethyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(5-butyl-2-oxo-3-phenethyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(5-butyl-2-oxo-3-phenethyl-1-imidazolyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(5-butyl-2-oxo-3-phenethylimidazol-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(5-butyl-2-keto-3-phenethyl-4-imidazolin-1-yl)methyl]-6-phenyl-benzoic acid Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CN(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C29H30N2O3/c1-2-3-16-25-21-30(19-18-22-11-6-4-7-12-22)29(34)31(25)20-24-15-10-17-26(27(24)28(32)33)23-13-8-5-9-14-23/h4-15,17,21H,2-3,16,18-20H2,1H3,(H,32,33)