[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-chloranyl-benzoate

Systemtic Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-chloranyl-benzoate Openeye Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxo-ethyl] 2-amino-5-chloro-benzoate CAS Name: 2-amino-5-chlorobenzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxoethyl] 2-amino-5-chlorobenzoate Traditional Name: 2-amino-5-chloro-benzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-keto-ethyl] ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)COC(=O)C3=C(C=CC(=C3)Cl)N

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)COC(=O)C3=C(C=CC(=C3)Cl)N

InChI

InChI=1S/C20H21ClN2O5/c1-2-23(11-13-3-6-17-18(9-13)27-8-7-26-17)19(24)12-28-20(25)15-10-14(21)4-5-16(15)22/h3-6,9-10H,2,7-8,11-12,22H2,1H3