(phenylmethyl) 4-[4-(4-hexylphenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-(4-hexylphenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: benzyl 4-[4-(4-hexylbenzoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-hexylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(4-hexylbenzoyl)-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-hexylbenzoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid benzyl ester Formula: C33H40N4O4 MolecularWeight: 556.6951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H40N4O4/c1-5-6-7-9-12-26-15-17-28(18-16-26)31(38)37-20-19-36(21-23(37)2)32(39)30-29(24(3)34-25(4)35-30)33(40)41-22-27-13-10-8-11-14-27/h8,10-11,13-18,23H,5-7,9,12,19-22H2,1-4H3