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

Systemtic Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 4-ethoxy-3-methoxy-benzoate Openeye Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl] 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic 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-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H23NO7 MolecularWeight: 401.40982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C21H23NO7/c1-4-26-16-8-6-15(10-18(16)25-3)21(24)27-11-20(23)22-13(2)14-5-7-17-19(9-14)29-12-28-17/h5-10,13H,4,11-12H2,1-3H3,(H,22,23)