ethyl (E)-3-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-(1-azepanylmethyl)-2,4-dimethylphenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[5-(azepan-1-ylmethyl)-2,4-dimethylphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1C)C)CN2CCCCCC2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1C)C)CN2CCCCCC2)/C#N

InChI

InChI=1S/C21H28N2O2/c1-4-25-21(24)19(14-22)12-18-13-20(17(3)11-16(18)2)15-23-9-7-5-6-8-10-23/h11-13H,4-10,15H2,1-3H3/b19-12+