2-[(3,5-dibutyl-4-methanoyl-2-oxidanylidene-imidazol-1-yl)methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[(3,5-dibutyl-4-methanoyl-2-oxidanylidene-imidazol-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3,5-dibutyl-4-formyl-2-oxo-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(3,5-dibutyl-4-formyl-2-oxo-1-imidazolyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(3,5-dibutyl-4-formyl-2-oxoimidazol-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3,5-dibutyl-4-formyl-2-keto-4-imidazolin-1-yl)methyl]-6-phenyl-benzoic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCCC)C=O

Isomeric SMILES

CCCCC1=C(N(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCCC)C=O

InChI

InChI=1S/C26H30N2O4/c1-3-5-15-22-23(18-29)27(16-6-4-2)26(32)28(22)17-20-13-10-14-21(24(20)25(30)31)19-11-8-7-9-12-19/h7-14,18H,3-6,15-17H2,1-2H3,(H,30,31)