prop-2-enyl (4R)-4-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl (4R)-4-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: allyl (4R)-4-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-[3-(4-butoxyphenyl)-1-phenyl-4-pyrazolyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R)-4-[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid allyl ester Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN(C=C2C3C(=C(NC(=O)N3)C)C(=O)OCC=C)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN(C=C2[C@@H]3C(=C(NC(=O)N3)C)C(=O)OCC=C)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O4/c1-4-6-17-35-22-14-12-20(13-15-22)25-23(18-32(31-25)21-10-8-7-9-11-21)26-24(27(33)36-16-5-2)19(3)29-28(34)30-26/h5,7-15,18,26H,2,4,6,16-17H2,1,3H3,(H2,29,30,34)/t26-/m1/s1