(2,6-dimethoxyphenyl) 2-(azepan-1-yl)-4-oxidanylidene-4-pyrrolidin-1-yl-butanoate

Systemtic Name: (2,6-dimethoxyphenyl) 2-(azepan-1-yl)-4-oxidanylidene-4-pyrrolidin-1-yl-butanoate Openeye Name: (2,6-dimethoxyphenyl) 2-(azepan-1-yl)-4-oxo-4-pyrrolidin-1-yl-butanoate CAS Name: 2-(1-azepanyl)-4-oxo-4-(1-pyrrolidinyl)butanoic acid (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) 2-(azepan-1-yl)-4-oxo-4-pyrrolidin-1-ylbutanoate Traditional Name: 2-(azepan-1-yl)-4-keto-4-pyrrolidino-butyric acid (2,6-dimethoxyphenyl) ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OC(=O)C(CC(=O)N2CCCC2)N3CCCCCC3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OC(=O)C(CC(=O)N2CCCC2)N3CCCCCC3

InChI

InChI=1S/C22H32N2O5/c1-27-18-10-9-11-19(28-2)21(18)29-22(26)17(23-12-5-3-4-6-13-23)16-20(25)24-14-7-8-15-24/h9-11,17H,3-8,12-16H2,1-2H3