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

Systemtic Name: 2-methoxyethyl 4-[4-(4-hexylphenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 4-[4-(4-hexylbenzoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-hexylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[4-(4-hexylbenzoyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-hexylbenzoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C34H42N4O5 MolecularWeight: 586.72108

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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)C4=CC=CC=C4)C)C(=O)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C34H42N4O5/c1-5-6-7-9-12-26-15-17-28(18-16-26)32(39)38-20-19-37(23-24(38)2)33(40)30-29(34(41)43-22-21-42-4)25(3)35-31(36-30)27-13-10-8-11-14-27/h8,10-11,13-18,24H,5-7,9,12,19-23H2,1-4H3