[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 1H-indole-3-carboxylate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 1H-indole-3-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 1H-indole-3-carboxylate CAS Name: 1H-indole-3-carboxylic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate Traditional Name: 1H-indole-3-carboxylic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H18N2O5/c1-12(27-20(24)15-10-21-16-5-3-2-4-14(15)16)19(23)22-9-13-6-7-17-18(8-13)26-11-25-17/h2-8,10,12,21H,9,11H2,1H3,(H,22,23)/t12-/m1/s1