[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C(=CC2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N

InChI

InChI=1S/C20H24N2O4/c1-15(19(23)22-11-5-3-4-6-12-22)26-20(24)17(14-21)13-16-7-9-18(25-2)10-8-16/h7-10,13,15H,3-6,11-12H2,1-2H3/b17-13+