methyl 6-[3-oxidanyl-2-(4-oxidanylphenoxy)-2-(piperidin-4-ylamino)butyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[3-oxidanyl-2-(4-oxidanylphenoxy)-2-(piperidin-4-ylamino)butyl]pyridine-3-carboxylate Openeye Name: methyl 6-[3-hydroxy-2-(4-hydroxyphenoxy)-2-(4-piperidylamino)butyl]pyridine-3-carboxylate CAS Name: 6-[3-hydroxy-2-(4-hydroxyphenoxy)-2-(4-piperidinylamino)butyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-hydroxy-2-(4-hydroxyphenoxy)-2-(piperidin-4-ylamino)butyl]pyridine-3-carboxylate Traditional Name: 6-[3-hydroxy-2-(4-hydroxyphenoxy)-2-(4-piperidylamino)butyl]nicotinic acid methyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=NC=C(C=C1)C(=O)OC)(NC2CCNCC2)OC3=CC=C(C=C3)O)O

Isomeric SMILES

CC(C(CC1=NC=C(C=C1)C(=O)OC)(NC2CCNCC2)OC3=CC=C(C=C3)O)O

InChI

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