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

Systemtic Name: ethyl 4-[3-methyl-4-(2-phenylmethoxyethanoyl)piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2-benzyloxyacetyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-(1-oxo-2-phenylmethoxyethyl)-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-4-(2-phenylmethoxyacetyl)piperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-benzoxyacetyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C31H36N4O5 MolecularWeight: 544.64134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)COCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)COCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H36N4O5/c1-4-12-25-27(31(38)40-5-2)28(33-29(32-25)24-15-10-7-11-16-24)30(37)34-17-18-35(22(3)19-34)26(36)21-39-20-23-13-8-6-9-14-23/h6-11,13-16,22H,4-5,12,17-21H2,1-3H3