ethyl 4-[4-(4-butoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-(4-butoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(4-butoxybenzoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-butoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-butoxybenzoyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-butoxybenzoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C31H36N4O5 MolecularWeight: 544.64134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)C3=NC(=NC(=C3C(=O)OCC)C4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)C3=NC(=NC(=C3C(=O)OCC)C4=CC=CC=C4)C

InChI

InChI=1S/C31H36N4O5/c1-5-7-19-40-25-15-13-24(14-16-25)29(36)35-18-17-34(20-21(35)3)30(37)28-26(31(38)39-6-2)27(32-22(4)33-28)23-11-9-8-10-12-23/h8-16,21H,5-7,17-20H2,1-4H3