2-methylpropyl 4-methyl-6-[3-methyl-4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 4-methyl-6-[3-methyl-4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-methyl-6-[3-methyl-4-[(E)-3-phenylprop-2-enoyl]piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-6-[3-methyl-4-[(E)-3-phenylprop-2-enoyl]piperazine-1-carbonyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-[3-methyl-4-[(E)-3-phenylacryloyl]piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C31H34N4O4 MolecularWeight: 526.62606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C=CC2=CC=CC=C2)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC(C)C

Isomeric SMILES

CC1CN(CCN1C(=O)/C=C/C2=CC=CC=C2)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC(C)C

InChI

InChI=1S/C31H34N4O4/c1-21(2)20-39-31(38)27-23(4)32-29(25-13-9-6-10-14-25)33-28(27)30(37)34-17-18-35(22(3)19-34)26(36)16-15-24-11-7-5-8-12-24/h5-16,21-22H,17-20H2,1-4H3/b16-15+