ethyl 2-[3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-1-piperidyl]acetate CAS Name: 2-[3-[2-[[4-(1-benzimidazolyl)-2-pyrimidinyl]amino]ethyl]-1-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]acetate Traditional Name: 2-[3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidino]acetic acid ethyl ester Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCCC(C1)CCNC2=NC=CC(=N2)N3C=NC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)CN1CCCC(C1)CCNC2=NC=CC(=N2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C22H28N6O2/c1-2-30-21(29)15-27-13-5-6-17(14-27)9-11-23-22-24-12-10-20(26-22)28-16-25-18-7-3-4-8-19(18)28/h3-4,7-8,10,12,16-17H,2,5-6,9,11,13-15H2,1H3,(H,23,24,26)