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

Systemtic Name: prop-2-enyl (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-prop-2-enoate Openeye Name: allyl (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 prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-3-[4-(azepan-1-yl)phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-acrylic acid allyl ester Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2/c1-2-13-23-19(22)17(15-20)14-16-7-9-18(10-8-16)21-11-5-3-4-6-12-21/h2,7-10,14H,1,3-6,11-13H2/b17-14+