[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C=CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H20N2O3/c19-13-16-7-5-15(6-8-16)9-10-18(22)23-14-17(21)20-11-3-1-2-4-12-20/h5-10H,1-4,11-12,14H2/b10-9+