propan-2-yl (E)-2-cyano-3-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate

Systemtic Name: propan-2-yl (E)-2-cyano-3-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate Openeye Name: isopropyl (E)-2-cyano-3-[3,5-dimethyl-4-(2-pyridylmethoxy)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3,5-dimethyl-4-(2-pyridinylmethoxy)phenyl]-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-2-cyano-3-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3,5-dimethyl-4-(2-pyridylmethoxy)phenyl]acrylic acid isopropyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC=CC=N2)C)C=C(C#N)C(=O)OC(C)C

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC=CC=N2)C)/C=C(\C#N)/C(=O)OC(C)C

InChI

InChI=1S/C21H22N2O3/c1-14(2)26-21(24)18(12-22)11-17-9-15(3)20(16(4)10-17)25-13-19-7-5-6-8-23-19/h5-11,14H,13H2,1-4H3/b18-11+