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

Systemtic Name: ethyl 4-[4-(3,5-dimethoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(3,5-dimethoxybenzoyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(3,5-dimethoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,5-dimethoxybenzoyl)-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(3,5-dimethoxybenzoyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C31H36N4O6 MolecularWeight: 560.64074

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3=CC(=CC(=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3=CC(=CC(=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C31H36N4O6/c1-6-11-25-26(31(38)41-7-2)27(33-28(32-25)21-12-9-8-10-13-21)30(37)34-14-15-35(20(3)19-34)29(36)22-16-23(39-4)18-24(17-22)40-5/h8-10,12-13,16-18,20H,6-7,11,14-15,19H2,1-5H3