ethanoic acid; propan-2-yl 6-methyl-4-[3-(3-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethanoic acid; propan-2-yl 6-methyl-4-[3-(3-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: acetic acid; isopropyl 4-[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: acetic acid; 6-methyl-4-[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: acetic acid; propan-2-yl 6-methyl-4-[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: acetic acid; 4-[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isopropyl ester Formula: C30H34N4O6 MolecularWeight: 546.61416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C3C(=C(NC(=O)N3)C)C(=O)OC(C)C)C4=CC=CC=C4)OCC=C.CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2C3C(=C(NC(=O)N3)C)C(=O)OC(C)C)C4=CC=CC=C4)OCC=C.CC(=O)O

InChI

InChI=1S/C28H30N4O4.C2H4O2/c1-6-14-35-23-13-12-20(15-18(23)4)25-22(16-32(31-25)21-10-8-7-9-11-21)26-24(27(33)36-17(2)3)19(5)29-28(34)30-26;1-2(3)4/h6-13,15-17,26H,1,14H2,2-5H3,(H2,29,30,34);1H3,(H,3,4)