[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H20N2O3 MolecularWeight: 300.3523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3/c1-12-5-6-14(9-13(12)2)16(21)22-10-15(20)19-17(11-18)7-3-4-8-17/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,19,20)