ethyl 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoate Openeye Name: ethyl 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate CAS Name: 3-[[oxo-[4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate Traditional Name: 3-[[4-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid ethyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c1-2-28-18(26)8-11-21-19(27)16-4-6-17(7-5-16)24-12-14-25(15-13-24)20-22-9-3-10-23-20/h3-7,9-10H,2,8,11-15H2,1H3,(H,21,27)