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

Systemtic Name: propan-2-yl (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-prop-2-enoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-[4-(azepan-1-yl)phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-acrylic acid isopropyl ester Formula: C19H24N2O2 MolecularWeight: 312.40606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O2/c1-15(2)23-19(22)17(14-20)13-16-7-9-18(10-8-16)21-11-5-3-4-6-12-21/h7-10,13,15H,3-6,11-12H2,1-2H3/b17-13+