[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-5-methyl-benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-5-methyl-benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-methoxy-5-methyl-benzoate CAS Name: 2-methoxy-5-methylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-methoxy-5-methylbenzoate Traditional Name: 2-methoxy-5-methyl-benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-12-5-6-14(22-2)13(9-12)16(21)23-10-15(20)19-17(11-18)7-3-4-8-17/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,19,20)