4-(3,4-dimethylphenyl)-7-methyl-6-methylidene-3,5-bis(oxidanyl)-2-(2-phenylpyrimidin-5-yl)octanoic acid

Systemtic Name: 4-(3,4-dimethylphenyl)-7-methyl-6-methylidene-3,5-bis(oxidanyl)-2-(2-phenylpyrimidin-5-yl)octanoic acid Openeye Name: 4-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methyl-6-methylene-2-(2-phenylpyrimidin-5-yl)octanoic acid CAS Name: 4-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methyl-6-methylene-2-(2-phenyl-5-pyrimidinyl)octanoic acid IUPAC Name: 4-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methyl-6-methylidene-2-(2-phenylpyrimidin-5-yl)octanoic acid Traditional Name: 4-(3,4-dimethylphenyl)-3,5-dihydroxy-6-isopropyl-2-(2-phenylpyrimidin-5-yl)hept-6-enoic acid Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C(C(C2=CN=C(N=C2)C3=CC=CC=C3)C(=O)O)O)C(C(=C)C(C)C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C(C(C2=CN=C(N=C2)C3=CC=CC=C3)C(=O)O)O)C(C(=C)C(C)C)O)C

InChI

InChI=1S/C28H32N2O4/c1-16(2)19(5)25(31)23(21-12-11-17(3)18(4)13-21)26(32)24(28(33)34)22-14-29-27(30-15-22)20-9-7-6-8-10-20/h6-16,23-26,31-32H,5H2,1-4H3,(H,33,34)