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

Systemtic Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-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-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-keto-ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3)O

InChI

InChI=1S/C21H20N2O6/c1-14-3-5-16(17(24)11-14)21(26)29-13-20(25)23(8-2-7-22)15-4-6-18-19(12-15)28-10-9-27-18/h3-6,11-12,24H,2,8-10,13H2,1H3