[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H20N2O5/c24-20(23-10-14-5-7-18-19(9-14)28-13-27-18)12-26-21(25)8-6-15-11-22-17-4-2-1-3-16(15)17/h1-5,7,9,11,22H,6,8,10,12-13H2,(H,23,24)