2-(2-cyano-1-ethoxycarbonyl-2-ethyl-azepan-4-yl)ethanoic acid

Systemtic Name: 2-(2-cyano-1-ethoxycarbonyl-2-ethyl-azepan-4-yl)ethanoic acid Openeye Name: 2-(2-cyano-1-ethoxycarbonyl-2-ethyl-azepan-4-yl)acetic acid CAS Name: 2-(2-cyano-1-ethoxycarbonyl-2-ethyl-4-azepanyl)acetic acid IUPAC Name: 2-(2-cyano-1-ethoxycarbonyl-2-ethylazepan-4-yl)acetic acid Traditional Name: 2-(1-carbethoxy-2-cyano-2-ethyl-azepan-4-yl)acetic acid Formula: C14H22N2O4 MolecularWeight: 282.33548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CCCN1C(=O)OCC)CC(=O)O)C#N

Isomeric SMILES

CCC1(CC(CCCN1C(=O)OCC)CC(=O)O)C#N

InChI

InChI=1S/C14H22N2O4/c1-3-14(10-15)9-11(8-12(17)18)6-5-7-16(14)13(19)20-4-2/h11H,3-9H2,1-2H3,(H,17,18)