prop-2-enyl 4-[4-(4-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 4-[4-(4-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-[4-(4-butylbenzoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-butylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[4-(4-butylbenzoyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-butylbenzoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid allyl ester Formula: C32H36N4O4 MolecularWeight: 540.65264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC=C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC=C

InChI

InChI=1S/C32H36N4O4/c1-5-7-11-24-14-16-26(17-15-24)30(37)36-19-18-35(21-22(36)3)31(38)28-27(32(39)40-20-6-2)23(4)33-29(34-28)25-12-9-8-10-13-25/h6,8-10,12-17,22H,2,5,7,11,18-21H2,1,3-4H3