[(1R)-1-cyanoethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate

Systemtic Name: [(1R)-1-cyanoethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Openeye Name: [(1R)-1-cyanoethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-propenoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]acrylic acid [(1R)-1-cyanoethyl] ester Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C#N)OC(=O)/C=C/C1=CC=C(C=C1)N2CCCCCC2

InChI

InChI=1S/C18H22N2O2/c1-15(14-19)22-18(21)11-8-16-6-9-17(10-7-16)20-12-4-2-3-5-13-20/h6-11,15H,2-5,12-13H2,1H3/b11-8+/t15-/m1/s1