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

Systemtic Name: methyl 6-[3-oxidanyl-2-(4-oxidanylphenoxy)-2-[(piperidin-4-ylamino)methyl]butyl]pyridine-3-carboxylate Openeye Name: methyl 6-[3-hydroxy-2-(4-hydroxyphenoxy)-2-[(4-piperidylamino)methyl]butyl]pyridine-3-carboxylate CAS Name: 6-[3-hydroxy-2-(4-hydroxyphenoxy)-2-[(4-piperidinylamino)methyl]butyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-hydroxy-2-(4-hydroxyphenoxy)-2-[(piperidin-4-ylamino)methyl]butyl]pyridine-3-carboxylate Traditional Name: 6-[3-hydroxy-2-(4-hydroxyphenoxy)-2-[(4-piperidylamino)methyl]butyl]nicotinic acid methyl ester Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=NC=C(C=C1)C(=O)OC)(CNC2CCNCC2)OC3=CC=C(C=C3)O)O

Isomeric SMILES

CC(C(CC1=NC=C(C=C1)C(=O)OC)(CNC2CCNCC2)OC3=CC=C(C=C3)O)O

InChI

InChI=1S/C23H31N3O5/c1-16(27)23(15-26-18-9-11-24-12-10-18,31-21-7-5-20(28)6-8-21)13-19-4-3-17(14-25-19)22(29)30-2/h3-8,14,16,18,24,26-28H,9-13,15H2,1-2H3