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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-13-7-14(2)9-15(8-13)23-11-17(22)24-10-16(21)20-18(12-19)5-3-4-6-18/h7-9H,3-6,10-11H2,1-2H3,(H,20,21)