methyl 3-[[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]oxymethyl]benzoate

Systemtic Name: methyl 3-[[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]oxymethyl]benzoate Openeye Name: methyl 3-[[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]oxymethyl]benzoate CAS Name: 3-[[(E)-2-cyano-3-(4-dimethylaminophenyl)-1-oxoprop-2-enoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]oxymethyl]benzoate Traditional Name: 3-[[(E)-2-cyano-3-(4-dimethylaminophenyl)acryloyl]oxymethyl]benzoic acid methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C21H20N2O4/c1-23(2)19-9-7-15(8-10-19)11-18(13-22)21(25)27-14-16-5-4-6-17(12-16)20(24)26-3/h4-12H,14H2,1-3H3/b18-11+