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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(4-cyanophenoxy)ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(4-cyanophenoxy)acetate CAS Name: 2-(4-cyanophenoxy)acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate Traditional Name: 2-(4-cyanophenoxy)acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)COC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)COC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H20N2O4/c18-11-14-5-7-15(8-6-14)22-13-17(21)23-12-16(20)19-9-3-1-2-4-10-19/h5-8H,1-4,9-10,12-13H2