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

Systemtic Name: [(2R)-1-methoxypropan-2-yl] (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-prop-2-enoate Openeye Name: [(1R)-2-methoxy-1-methyl-ethyl] (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 [(2R)-1-methoxypropan-2-yl] ester IUPAC Name: [(2R)-1-methoxypropan-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 [(1R)-2-methoxy-1-methyl-ethyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3/c1-16(15-24-2)25-20(23)18(14-21)13-17-7-9-19(10-8-17)22-11-5-3-4-6-12-22/h7-10,13,16H,3-6,11-12,15H2,1-2H3/b18-13+/t16-/m1/s1