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

Systemtic Name: ethyl 6-[4-[[2-oxidanyl-1-(4-oxidanylphenoxy)propyl]amino]piperidin-3-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[[2-hydroxy-1-(4-hydroxyphenoxy)propyl]amino]-3-piperidyl]pyridine-3-carboxylate CAS Name: 6-[4-[[2-hydroxy-1-(4-hydroxyphenoxy)propyl]amino]-3-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[[2-hydroxy-1-(4-hydroxyphenoxy)propyl]amino]piperidin-3-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[[2-hydroxy-1-(4-hydroxyphenoxy)propyl]amino]-3-piperidyl]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)C2CNCCC2NC(C(C)O)OC3=CC=C(C=C3)O

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C2CNCCC2NC(C(C)O)OC3=CC=C(C=C3)O

InChI

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