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

Systemtic Name: ethyl 6-[1-azanyl-2-methyl-2-oxidanyl-1-(4-oxidanylphenoxy)-3-piperidin-4-yl-propyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[1-amino-2-hydroxy-1-(4-hydroxyphenoxy)-2-methyl-3-(4-piperidyl)propyl]pyridine-3-carboxylate CAS Name: 6-[1-amino-2-hydroxy-1-(4-hydroxyphenoxy)-2-methyl-3-(4-piperidinyl)propyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[1-amino-2-hydroxy-1-(4-hydroxyphenoxy)-2-methyl-3-piperidin-4-ylpropyl]pyridine-3-carboxylate Traditional Name: 6-[1-amino-2-hydroxy-1-(4-hydroxyphenoxy)-2-methyl-3-(4-piperidyl)propyl]nicotinic acid ethyl ester Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C(C(C)(CC2CCNCC2)O)(N)OC3=CC=C(C=C3)O

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C(C(C)(CC2CCNCC2)O)(N)OC3=CC=C(C=C3)O

InChI

InChI=1S/C23H31N3O5/c1-3-30-21(28)17-4-9-20(26-15-17)23(24,31-19-7-5-18(27)6-8-19)22(2,29)14-16-10-12-25-13-11-16/h4-9,15-16,25,27,29H,3,10-14,24H2,1-2H3