ethyl (4S)-6-methyl-2-oxidanylidene-4-[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-methyl-2-oxidanylidene-4-[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-2-oxo-4-[1-phenyl-3-(4-prop-2-enoxyphenyl)-4-pyrazolyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-methyl-2-oxo-4-[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H26N4O4 MolecularWeight: 458.50904

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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)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)C4=CC=CC=C4)C

InChI

InChI=1S/C26H26N4O4/c1-4-15-34-20-13-11-18(12-14-20)23-21(16-30(29-23)19-9-7-6-8-10-19)24-22(25(31)33-5-2)17(3)27-26(32)28-24/h4,6-14,16,24H,1,5,15H2,2-3H3,(H2,27,28,32)/t24-/m0/s1