[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-propoxybenzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-propoxybenzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C18H22N2O4/c1-2-11-23-15-7-5-14(6-8-15)17(22)24-12-16(21)20-18(13-19)9-3-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,20,21)