propan-2-yl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]benzoate Openeye Name: isopropyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]benzoate Traditional Name: 4-[2-[4-(2-pyrimidyl)piperazino]propanoylamino]benzoic acid isopropyl ester Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H27N5O3/c1-15(2)29-20(28)17-5-7-18(8-6-17)24-19(27)16(3)25-11-13-26(14-12-25)21-22-9-4-10-23-21/h4-10,15-16H,11-14H2,1-3H3,(H,24,27)