[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)OC

InChI

InChI=1S/C21H22N2O5/c1-3-27-13-17-12-16(6-9-19(17)26-2)21(25)28-14-20(24)23-18-7-4-15(5-8-18)10-11-22/h4-9,12H,3,10,13-14H2,1-2H3,(H,23,24)