methyl 6-[3-oxidanyl-4-(4-oxidanylphenoxy)-5-(piperidin-1-ylamino)pentyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[3-oxidanyl-4-(4-oxidanylphenoxy)-5-(piperidin-1-ylamino)pentyl]pyridine-3-carboxylate Openeye Name: methyl 6-[3-hydroxy-4-(4-hydroxyphenoxy)-5-(1-piperidylamino)pentyl]pyridine-3-carboxylate CAS Name: 6-[3-hydroxy-4-(4-hydroxyphenoxy)-5-(1-piperidinylamino)pentyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-hydroxy-4-(4-hydroxyphenoxy)-5-(piperidin-1-ylamino)pentyl]pyridine-3-carboxylate Traditional Name: 6-[3-hydroxy-4-(4-hydroxyphenoxy)-5-(piperidinoamino)pentyl]nicotinic acid methyl ester Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)CCC(C(CNN2CCCCC2)OC3=CC=C(C=C3)O)O

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)CCC(C(CNN2CCCCC2)OC3=CC=C(C=C3)O)O

InChI

InChI=1S/C23H31N3O5/c1-30-23(29)17-5-6-18(24-15-17)7-12-21(28)22(16-25-26-13-3-2-4-14-26)31-20-10-8-19(27)9-11-20/h5-6,8-11,15,21-22,25,27-28H,2-4,7,12-14,16H2,1H3