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

Systemtic Name: 2-[4-[[5-(3-methylbutyl)-2-oxidanylidene-3-pentanoyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-isopentyl-2-oxo-3-pentanoyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-(3-methylbutyl)-2-oxo-3-(1-oxopentyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-(3-methylbutyl)-2-oxo-3-pentanoylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-isoamyl-2-keto-3-valeryl-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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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)CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4/c1-4-5-10-25(30)29-18-22(16-11-19(2)3)28(27(29)33)17-20-12-14-21(15-13-20)23-8-6-7-9-24(23)26(31)32/h6-9,12-15,18-19H,4-5,10-11,16-17H2,1-3H3,(H,31,32)