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

Systemtic Name: ethyl 6-[4-[[2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]-1-piperidyl]pyridine-3-carboxylate CAS Name: 6-[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]piperidin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]piperidino]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)N2CCC(CC2)NCC(COC3=CC=C(C=C3)O)O

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCC(CC2)NCC(COC3=CC=C(C=C3)O)O

InChI

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