7-(4-imidazol-1-ylphenyl)-6-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]heptanoic acid

Systemtic Name: 7-(4-imidazol-1-ylphenyl)-6-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]heptanoic acid Openeye Name: 7-(4-imidazol-1-ylphenyl)-6-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)heptanoic acid CAS Name: 7-[4-(1-imidazolyl)phenyl]-6-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)heptanoic acid IUPAC Name: 7-(4-imidazol-1-ylphenyl)-6-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid Traditional Name: 6-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)-7-(4-imidazol-1-ylphenyl)enanthic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)C(CCCCC(=O)O)CC2=CC=C(C=C2)N3C=CN=C3)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)C(CCCCC(=O)O)CC2=CC=C(C=C2)N3C=CN=C3)C

InChI

InChI=1S/C25H28N2O4/c1-16-17(2)25(31)23(18(3)24(16)30)20(6-4-5-7-22(28)29)14-19-8-10-21(11-9-19)27-13-12-26-15-27/h8-13,15,20H,4-7,14H2,1-3H3,(H,28,29)