ethyl (E)-3-[3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-5-(pyridin-3-ylmethyl)phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-5-(pyridin-3-ylmethyl)phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[3-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-5-(3-pyridylmethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-(3-pyridinylmethyl)phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-(pyridin-3-ylmethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-[(E)-3-ethoxy-3-keto-prop-1-enyl]-5-(3-pyridylmethyl)phenyl]acrylic acid ethyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=CC(=C1)CC2=CN=CC=C2)C=CC(=O)OCC

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=CC(=C1)CC2=CN=CC=C2)/C=C/C(=O)OCC

InChI

InChI=1S/C22H23NO4/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/h5-14,16H,3-4,15H2,1-2H3/b9-7+,10-8+