[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)OC)OC

InChI

InChI=1S/C20H20N2O6/c1-25-16-11-18(27-3)17(26-2)10-15(16)20(24)28-12-19(23)22-14-6-4-13(5-7-14)8-9-21/h4-7,10-11H,8,12H2,1-3H3,(H,22,23)