azanyl 3-[[3-methoxy-4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate

Systemtic Name: azanyl 3-[[3-methoxy-4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: amino 3-[[3-methoxy-4-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 3-[[[3-methoxy-4-[4-(2-pyrimidinylamino)-1-piperidinyl]phenyl]-oxomethyl]amino]propanoic acid amino ester IUPAC Name: amino 3-[[3-methoxy-4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[[3-methoxy-4-[4-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid amino ester Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCCC(=O)ON)N2CCC(CC2)NC3=NC=CC=N3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NCCC(=O)ON)N2CCC(CC2)NC3=NC=CC=N3

InChI

InChI=1S/C20H26N6O4/c1-29-17-13-14(19(28)22-10-5-18(27)30-21)3-4-16(17)26-11-6-15(7-12-26)25-20-23-8-2-9-24-20/h2-4,8-9,13,15H,5-7,10-12,21H2,1H3,(H,22,28)(H,23,24,25)