[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-(3-methylphenoxy)propanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-(3-methylphenoxy)propanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-(3-methylphenoxy)propanoate CAS Name: 3-(3-methylphenoxy)propanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate Traditional Name: 3-(3-methylphenoxy)propionic 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)OCCC(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-14-5-4-6-15(11-14)23-10-7-17(22)24-12-16(21)20-18(13-19)8-2-3-9-18/h4-6,11H,2-3,7-10,12H2,1H3,(H,20,21)