ethyl 6-[[3-(6-azanylpyridin-3-yl)oxy-2-oxidanyl-propyl]-piperidin-4-yl-amino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[3-(6-azanylpyridin-3-yl)oxy-2-oxidanyl-propyl]-piperidin-4-yl-amino]pyridine-3-carboxylate Openeye Name: ethyl 6-[[3-[(6-amino-3-pyridyl)oxy]-2-hydroxy-propyl]-(4-piperidyl)amino]pyridine-3-carboxylate CAS Name: 6-[[3-[(6-amino-3-pyridinyl)oxy]-2-hydroxypropyl]-(4-piperidinyl)amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[3-(6-aminopyridin-3-yl)oxy-2-hydroxypropyl]-piperidin-4-ylamino]pyridine-3-carboxylate Traditional Name: 6-[[3-[(6-amino-3-pyridyl)oxy]-2-hydroxy-propyl]-(4-piperidyl)amino]nicotinic acid ethyl ester Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N(CC(COC2=CN=C(C=C2)N)O)C3CCNCC3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N(CC(COC2=CN=C(C=C2)N)O)C3CCNCC3

InChI

InChI=1S/C21H29N5O4/c1-2-29-21(28)15-3-6-20(25-11-15)26(16-7-9-23-10-8-16)13-17(27)14-30-18-4-5-19(22)24-12-18/h3-6,11-12,16-17,23,27H,2,7-10,13-14H2,1H3,(H2,22,24)