[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxo-ethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-[[4-(dimethylamino)benzyl]-methyl-amino]-2-keto-ethyl] ester Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C21H23ClN2O5/c1-23(2)16-6-4-14(5-7-16)12-24(3)19(25)13-29-21(26)15-10-17(22)20-18(11-15)27-8-9-28-20/h4-7,10-11H,8-9,12-13H2,1-3H3