ethyl 6-[2-oxidanyl-1-(4-phenylmethoxyphenoxy)-1-(piperidin-4-ylamino)propyl]pyridine-2-carboxylate

Systemtic Name: ethyl 6-[2-oxidanyl-1-(4-phenylmethoxyphenoxy)-1-(piperidin-4-ylamino)propyl]pyridine-2-carboxylate Openeye Name: ethyl 6-[1-(4-benzyloxyphenoxy)-2-hydroxy-1-(4-piperidylamino)propyl]pyridine-2-carboxylate CAS Name: 6-[2-hydroxy-1-(4-phenylmethoxyphenoxy)-1-(4-piperidinylamino)propyl]-2-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-hydroxy-1-(4-phenylmethoxyphenoxy)-1-(piperidin-4-ylamino)propyl]pyridine-2-carboxylate Traditional Name: 6-[1-(4-benzoxyphenoxy)-2-hydroxy-1-(4-piperidylamino)propyl]picolinic acid ethyl ester Formula: C29H35N3O5 MolecularWeight: 505.6053

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CC=C1)C(C(C)O)(NC2CCNCC2)OC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NC(=CC=C1)C(C(C)O)(NC2CCNCC2)OC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H35N3O5/c1-3-35-28(34)26-10-7-11-27(31-26)29(21(2)33,32-23-16-18-30-19-17-23)37-25-14-12-24(13-15-25)36-20-22-8-5-4-6-9-22/h4-15,21,23,30,32-33H,3,16-20H2,1-2H3