[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-methoxy-benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-methoxy-benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-ethoxy-4-methoxy-benzoate CAS Name: 3-ethoxy-4-methoxybenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate Traditional Name: 3-ethoxy-4-methoxy-benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC2(CCCC2)C#N)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC2(CCCC2)C#N)OC

InChI

InChI=1S/C18H22N2O5/c1-3-24-15-10-13(6-7-14(15)23-2)17(22)25-11-16(21)20-18(12-19)8-4-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,21)