[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [(1R)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C24H17NO5 MolecularWeight: 399.39548

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)O[C@H](C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C24H17NO5/c26-22(18-13-25-19-9-5-4-8-17(18)19)23(15-6-2-1-3-7-15)30-24(27)16-10-11-20-21(12-16)29-14-28-20/h1-13,23,25H,14H2/t23-/m1/s1