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

Systemtic Name: ethyl 4-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-tert-butylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-tert-butylbenzoyl)-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C33H40N4O4 MolecularWeight: 556.6951

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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=C(C=C3)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C33H40N4O4/c1-7-12-26-27(32(40)41-8-2)28(35-29(34-26)23-13-10-9-11-14-23)31(39)36-19-20-37(22(3)21-36)30(38)24-15-17-25(18-16-24)33(4,5)6/h9-11,13-18,22H,7-8,12,19-21H2,1-6H3