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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: 2-acetamido-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] 2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: 2-acetamido-3-(1H-indol-3-yl)propionic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C23H23N3O6 MolecularWeight: 437.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H23N3O6/c1-14(27)26-19(9-16-11-24-18-5-3-2-4-17(16)18)23(29)30-12-22(28)25-10-15-6-7-20-21(8-15)32-13-31-20/h2-8,11,19,24H,9-10,12-13H2,1H3,(H,25,28)(H,26,27)