[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] 2-methylbenzoate

Systemtic Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] 2-methylbenzoate Openeye Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-ethyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-keto-ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H20N2O5/c1-15-5-2-3-6-17(15)21(25)28-14-20(24)23(10-4-9-22)16-7-8-18-19(13-16)27-12-11-26-18/h2-3,5-8,13H,4,10-12,14H2,1H3