[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)[C@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H24N2O4/c1-14(18(22)21-11-5-3-4-6-12-21)25-19(23)15(2)24-17-9-7-16(13-20)8-10-17/h7-10,14-15H,3-6,11-12H2,1-2H3/t14-,15+/m1/s1