ethyl 6-[[3-[2,3-bis(azanyl)phenoxy]-2-oxidanyl-propyl]-piperidin-4-yl-amino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[3-[2,3-bis(azanyl)phenoxy]-2-oxidanyl-propyl]-piperidin-4-yl-amino]pyridine-3-carboxylate Openeye Name: ethyl 6-[[3-(2,3-diaminophenoxy)-2-hydroxy-propyl]-(4-piperidyl)amino]pyridine-3-carboxylate CAS Name: 6-[[3-(2,3-diaminophenoxy)-2-hydroxypropyl]-(4-piperidinyl)amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[3-(2,3-diaminophenoxy)-2-hydroxypropyl]-piperidin-4-ylamino]pyridine-3-carboxylate Traditional Name: 6-[[3-(2,3-diaminophenoxy)-2-hydroxy-propyl]-(4-piperidyl)amino]nicotinic acid ethyl ester Formula: C22H31N5O4 MolecularWeight: 429.51264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N(CC(COC2=CC=CC(=C2N)N)O)C3CCNCC3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N(CC(COC2=CC=CC(=C2N)N)O)C3CCNCC3

InChI

InChI=1S/C22H31N5O4/c1-2-30-22(29)15-6-7-20(26-12-15)27(16-8-10-25-11-9-16)13-17(28)14-31-19-5-3-4-18(23)21(19)24/h3-7,12,16-17,25,28H,2,8-11,13-14,23-24H2,1H3