2-[4-[[4-methanoyl-3-(3-methylbutyl)-2-oxidanylidene-5-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[4-methanoyl-3-(3-methylbutyl)-2-oxidanylidene-5-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(4-formyl-3-isopentyl-2-oxo-5-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-formyl-3-(3-methylbutyl)-2-oxo-5-propyl-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-formyl-3-(3-methylbutyl)-2-oxo-5-propylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(4-formyl-3-isoamyl-2-keto-5-propyl-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC(C)C)C=O

Isomeric SMILES

CCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC(C)C)C=O

InChI

InChI=1S/C26H30N2O4/c1-4-7-23-24(17-29)27(15-14-18(2)3)26(32)28(23)16-19-10-12-20(13-11-19)21-8-5-6-9-22(21)25(30)31/h5-6,8-13,17-18H,4,7,14-16H2,1-3H3,(H,30,31)