ethyl 2-[2-oxidanyl-1-(4-oxidanylphenoxy)-1-(piperidin-4-ylamino)propyl]pyridine-4-carboxylate

Systemtic Name: ethyl 2-[2-oxidanyl-1-(4-oxidanylphenoxy)-1-(piperidin-4-ylamino)propyl]pyridine-4-carboxylate Openeye Name: ethyl 2-[2-hydroxy-1-(4-hydroxyphenoxy)-1-(4-piperidylamino)propyl]pyridine-4-carboxylate CAS Name: 2-[2-hydroxy-1-(4-hydroxyphenoxy)-1-(4-piperidinylamino)propyl]-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-hydroxy-1-(4-hydroxyphenoxy)-1-(piperidin-4-ylamino)propyl]pyridine-4-carboxylate Traditional Name: 2-[2-hydroxy-1-(4-hydroxyphenoxy)-1-(4-piperidylamino)propyl]isonicotinic acid ethyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5/c1-3-29-21(28)16-8-13-24-20(14-16)22(15(2)26,25-17-9-11-23-12-10-17)30-19-6-4-18(27)5-7-19/h4-8,13-15,17,23,25-27H,3,9-12H2,1-2H3