ethyl 4-[[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=CC=C4

InChI

InChI=1S/C28H33N5O3/c1-5-36-27(34)22-11-13-23(14-12-22)30-28(35)33-17-15-32(16-18-33)26-24(19(2)3)20(4)29-25(31-26)21-9-7-6-8-10-21/h6-14,19H,5,15-18H2,1-4H3,(H,30,35)