2-[4-[(5-butan-2-yl-2-oxidanylidene-3-pentanoyl-imidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(5-butan-2-yl-2-oxidanylidene-3-pentanoyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-oxo-3-pentanoyl-5-sec-butyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-butan-2-yl-2-oxo-3-(1-oxopentyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-butan-2-yl-2-oxo-3-pentanoylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-keto-5-sec-butyl-3-valeryl-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1C=C(N(C1=O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)CC

Isomeric SMILES

CCCCC(=O)N1C=C(N(C1=O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)CC

InChI

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