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

Systemtic Name: ethyl 2-[[2-oxidanyl-3-(4-oxidanylphenoxy)propyl]-piperidin-1-yl-amino]pyridine-4-carboxylate Openeye Name: ethyl 2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]-(1-piperidyl)amino]pyridine-4-carboxylate CAS Name: 2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]-(1-piperidinyl)amino]-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]-piperidin-1-ylamino]pyridine-4-carboxylate Traditional Name: 2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]-piperidino-amino]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)N(CC(COC2=CC=C(C=C2)O)O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC(=NC=C1)N(CC(COC2=CC=C(C=C2)O)O)N3CCCCC3

InChI

InChI=1S/C22H29N3O5/c1-2-29-22(28)17-10-11-23-21(14-17)25(24-12-4-3-5-13-24)15-19(27)16-30-20-8-6-18(26)7-9-20/h6-11,14,19,26-27H,2-5,12-13,15-16H2,1H3