ethyl (4R)-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: ethyl (4R)-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: ethyl (4R)-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: (4R)-6-methyl-4-[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-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: (4R)-4-[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CN(N=C2C3=CC(=C(C=C3)OCC=C)C)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CN(N=C2C3=CC(=C(C=C3)OCC=C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28N4O4/c1-5-14-35-22-13-12-19(15-17(22)3)24-21(16-31(30-24)20-10-8-7-9-11-20)25-23(26(32)34-6-2)18(4)28-27(33)29-25/h5,7-13,15-16,25H,1,6,14H2,2-4H3,(H2,28,29,33)/t25-/m1/s1