[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 4-(2-hydroxyethylamino)benzoate

Systemtic Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 4-(2-hydroxyethylamino)benzoate Openeye Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl] 4-(2-hydroxyethylamino)benzoate CAS Name: 4-(2-hydroxyethylamino)benzoic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] 4-(2-hydroxyethylamino)benzoate Traditional Name: 4-(2-hydroxyethylamino)benzoic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-keto-ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3=CC=C(C=C3)NCCO

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3=CC=C(C=C3)NCCO

InChI

InChI=1S/C20H22N2O6/c1-13(15-4-7-17-18(10-15)28-12-27-17)22-19(24)11-26-20(25)14-2-5-16(6-3-14)21-8-9-23/h2-7,10,13,21,23H,8-9,11-12H2,1H3,(H,22,24)