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

Systemtic Name: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-[benzyl(ethyl)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-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(ethyl)amino]-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-[benzyl(ethyl)amino]-2-keto-ethyl] ester Formula: C20H20ClNO5 MolecularWeight: 389.8295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C20H20ClNO5/c1-2-22(12-14-6-4-3-5-7-14)18(23)13-27-20(24)15-10-16(21)19-17(11-15)25-8-9-26-19/h3-7,10-11H,2,8-9,12-13H2,1H3