methyl (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-(azepan-1-yl)phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-acrylic acid methyl ester Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=C(C=C1)N2CCCCCC2)C#N

Isomeric SMILES

COC(=O)/C(=C/C1=CC=C(C=C1)N2CCCCCC2)/C#N

InChI

InChI=1S/C17H20N2O2/c1-21-17(20)15(13-18)12-14-6-8-16(9-7-14)19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11H2,1H3/b15-12+