ethyl 6-[2-oxidanyl-1-(4-oxidanylphenoxy)-1-(piperidin-4-ylamino)propyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-oxidanyl-1-(4-oxidanylphenoxy)-1-(piperidin-4-ylamino)propyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-hydroxy-1-(4-hydroxyphenoxy)-1-(4-piperidylamino)propyl]pyridine-3-carboxylate CAS Name: 6-[2-hydroxy-1-(4-hydroxyphenoxy)-1-(4-piperidinylamino)propyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-hydroxy-1-(4-hydroxyphenoxy)-1-(piperidin-4-ylamino)propyl]pyridine-3-carboxylate Traditional Name: 6-[2-hydroxy-1-(4-hydroxyphenoxy)-1-(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)C(C(C)O)(NC2CCNCC2)OC3=CC=C(C=C3)O

Isomeric SMILES

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

InChI

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