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

Systemtic Name: 2-[4-[[4-methyl-5-(3-methylbutyl)-2-oxidanylidene-3-pentanoyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-isopentyl-4-methyl-2-oxo-3-pentanoyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-methyl-5-(3-methylbutyl)-2-oxo-3-(1-oxopentyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-methyl-5-(3-methylbutyl)-2-oxo-3-pentanoylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-isoamyl-2-keto-4-methyl-3-valeryl-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C28H34N2O4 MolecularWeight: 462.58056

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O4/c1-5-6-11-26(31)30-20(4)25(17-12-19(2)3)29(28(30)34)18-21-13-15-22(16-14-21)23-9-7-8-10-24(23)27(32)33/h7-10,13-16,19H,5-6,11-12,17-18H2,1-4H3,(H,32,33)