ethyl 3-[3-(3-ethoxy-3-oxidanylidene-propyl)-5-(1-oxidanyl-1-pyridin-3-yl-ethyl)phenyl]propanoate

Systemtic Name: ethyl 3-[3-(3-ethoxy-3-oxidanylidene-propyl)-5-(1-oxidanyl-1-pyridin-3-yl-ethyl)phenyl]propanoate Openeye Name: ethyl 3-[3-(3-ethoxy-3-oxo-propyl)-5-[1-hydroxy-1-(3-pyridyl)ethyl]phenyl]propanoate CAS Name: 3-[3-(3-ethoxy-3-oxopropyl)-5-[1-hydroxy-1-(3-pyridinyl)ethyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(3-ethoxy-3-oxopropyl)-5-(1-hydroxy-1-pyridin-3-ylethyl)phenyl]propanoate Traditional Name: 3-[3-(3-ethoxy-3-keto-propyl)-5-[1-hydroxy-1-(3-pyridyl)ethyl]phenyl]propionic acid ethyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)C(C)(C2=CN=CC=C2)O)CCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)C(C)(C2=CN=CC=C2)O)CCC(=O)OCC

InChI

InChI=1S/C23H29NO5/c1-4-28-21(25)10-8-17-13-18(9-11-22(26)29-5-2)15-20(14-17)23(3,27)19-7-6-12-24-16-19/h6-7,12-16,27H,4-5,8-11H2,1-3H3