ethyl 2-[2-(aminomethyl)-1-pyridin-4-yl-piperidin-2-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: ethyl 2-[2-(aminomethyl)-1-pyridin-4-yl-piperidin-2-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: ethyl 2-[2-(aminomethyl)-1-(4-pyridyl)-2-piperidyl]-3-(tert-butoxycarbonylamino)propanoate CAS Name: 2-[2-(aminomethyl)-1-pyridin-4-yl-2-piperidinyl]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(aminomethyl)-1-pyridin-4-ylpiperidin-2-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-[2-(aminomethyl)-1-(4-pyridyl)-2-piperidyl]-3-(tert-butoxycarbonylamino)propionic acid ethyl ester Formula: C21H34N4O4 MolecularWeight: 406.51906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)OC(C)(C)C)C1(CCCCN1C2=CC=NC=C2)CN

Isomeric SMILES

CCOC(=O)C(CNC(=O)OC(C)(C)C)C1(CCCCN1C2=CC=NC=C2)CN

InChI

InChI=1S/C21H34N4O4/c1-5-28-18(26)17(14-24-19(27)29-20(2,3)4)21(15-22)10-6-7-13-25(21)16-8-11-23-12-9-16/h8-9,11-12,17H,5-7,10,13-15,22H2,1-4H3,(H,24,27)