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

Systemtic Name: (phenylmethyl) 4-[4-(4-ethylphenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: benzyl 4-[4-(4-ethylbenzoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-ethylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(4-ethylbenzoyl)-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-ethylbenzoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid benzyl ester Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C29H32N4O4/c1-5-22-11-13-24(14-12-22)27(34)33-16-15-32(17-19(33)2)28(35)26-25(20(3)30-21(4)31-26)29(36)37-18-23-9-7-6-8-10-23/h6-14,19H,5,15-18H2,1-4H3