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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (2R)-2-(4-cyanophenoxy)propanoate CAS Name: (2R)-2-(4-cyanophenoxy)propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate Traditional Name: (2R)-2-(4-cyanophenoxy)propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-14(24-16-8-6-15(12-19)7-9-16)18(22)23-13-17(21)20-10-4-2-3-5-11-20/h6-9,14H,2-5,10-11,13H2,1H3/t14-/m1/s1