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

Systemtic Name: 2-methoxyethyl 4-[4-[3,5-bis(trifluoromethyl)phenyl]carbonyl-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 4-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C30H28F6N4O5 MolecularWeight: 638.557539

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCCOC

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCCOC

InChI

InChI=1S/C30H28F6N4O5/c1-17-16-39(9-10-40(17)26(41)20-13-21(29(31,32)33)15-22(14-20)30(34,35)36)27(42)24-23(28(43)45-12-11-44-3)18(2)37-25(38-24)19-7-5-4-6-8-19/h4-8,13-15,17H,9-12,16H2,1-3H3