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

Systemtic Name: ethyl 4-[4-(4-hexylphenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(4-hexylbenzoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-hexylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-hexylbenzoyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-hexylbenzoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C30H42N4O4 MolecularWeight: 522.67888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)C3=C(C(=NC(=N3)C)CCC)C(=O)OCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)C3=C(C(=NC(=N3)C)CCC)C(=O)OCC

InChI

InChI=1S/C30H42N4O4/c1-6-9-10-11-13-23-14-16-24(17-15-23)28(35)34-19-18-33(20-21(34)4)29(36)27-26(30(37)38-8-3)25(12-7-2)31-22(5)32-27/h14-17,21H,6-13,18-20H2,1-5H3