[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-(2-hydroxyethylamino)benzoate CAS Name: 2-(2-hydroxyethylamino)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate Traditional Name: 2-(2-hydroxyethylamino)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2NCCO

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2NCCO

InChI

InChI=1S/C17H21N3O4/c18-12-17(7-3-4-8-17)20-15(22)11-24-16(23)13-5-1-2-6-14(13)19-9-10-21/h1-2,5-6,19,21H,3-4,7-11H2,(H,20,22)