ethyl 3-[3-(3-ethoxy-3-oxidanylidene-propyl)-5-(pyridin-3-ylmethyl)phenyl]propanoate

Systemtic Name: ethyl 3-[3-(3-ethoxy-3-oxidanylidene-propyl)-5-(pyridin-3-ylmethyl)phenyl]propanoate Openeye Name: ethyl 3-[3-(3-ethoxy-3-oxo-propyl)-5-(3-pyridylmethyl)phenyl]propanoate CAS Name: 3-[3-(3-ethoxy-3-oxopropyl)-5-(3-pyridinylmethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(3-ethoxy-3-oxopropyl)-5-(pyridin-3-ylmethyl)phenyl]propanoate Traditional Name: 3-[3-(3-ethoxy-3-keto-propyl)-5-(3-pyridylmethyl)phenyl]propionic acid ethyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)CC2=CN=CC=C2)CCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)CC2=CN=CC=C2)CCC(=O)OCC

InChI

InChI=1S/C22H27NO4/c1-3-26-21(24)9-7-17-12-18(8-10-22(25)27-4-2)14-20(13-17)15-19-6-5-11-23-16-19/h5-6,11-14,16H,3-4,7-10,15H2,1-2H3