ethyl 6-[2-oxidanyl-3-(4-oxidanylphenoxy)-3-(piperidin-4-ylamino)propyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-oxidanyl-3-(4-oxidanylphenoxy)-3-(piperidin-4-ylamino)propyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-hydroxy-3-(4-hydroxyphenoxy)-3-(4-piperidylamino)propyl]pyridine-3-carboxylate CAS Name: 6-[2-hydroxy-3-(4-hydroxyphenoxy)-3-(4-piperidinylamino)propyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-hydroxy-3-(4-hydroxyphenoxy)-3-(piperidin-4-ylamino)propyl]pyridine-3-carboxylate Traditional Name: 6-[2-hydroxy-3-(4-hydroxyphenoxy)-3-(4-piperidylamino)propyl]nicotinic acid ethyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)CC(C(NC2CCNCC2)OC3=CC=C(C=C3)O)O

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)CC(C(NC2CCNCC2)OC3=CC=C(C=C3)O)O

InChI

InChI=1S/C22H29N3O5/c1-2-29-22(28)15-3-4-17(24-14-15)13-20(27)21(25-16-9-11-23-12-10-16)30-19-7-5-18(26)6-8-19/h3-8,14,16,20-21,23,25-27H,2,9-13H2,1H3