O1-ethyl O3-[2-(2-oxidanylidene-5-phenyl-azepan-1-yl)ethyl] propanedioate

Systemtic Name: O1-ethyl O3-[2-(2-oxidanylidene-5-phenyl-azepan-1-yl)ethyl] propanedioate Openeye Name: O1-ethyl O3-[2-(2-oxo-5-phenyl-azepan-1-yl)ethyl] propanedioate CAS Name: propanedioic acid O1-ethyl ester O3-[2-(2-oxo-5-phenyl-1-azepanyl)ethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-(2-oxo-5-phenylazepan-1-yl)ethyl] propanedioate Traditional Name: malonic acid O1-ethyl ester O3-[2-(2-keto-5-phenyl-azepan-1-yl)ethyl] ester Formula: C19H25NO5 MolecularWeight: 347.4055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)OCCN1CCC(CCC1=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC(=O)OCCN1CCC(CCC1=O)C2=CC=CC=C2

InChI

InChI=1S/C19H25NO5/c1-2-24-18(22)14-19(23)25-13-12-20-11-10-16(8-9-17(20)21)15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3