[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2(CCCC2)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2(CCCC2)C#N)C

InChI

InChI=1S/C17H20N2O3/c1-12-7-13(2)9-14(8-12)16(21)22-10-15(20)19-17(11-18)5-3-4-6-17/h7-9H,3-6,10H2,1-2H3,(H,19,20)