[(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-chlorophenyl)-2-oxidanylidene-ethyl] furan-2-carboxylate

Systemtic Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-chlorophenyl)-2-oxidanylidene-ethyl] furan-2-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-chlorophenyl)-2-oxo-ethyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-chlorophenyl)-2-oxoethyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [(1R)-1-(4-chlorophenyl)-2-keto-2-(piperonylamino)ethyl] ester Formula: C21H16ClNO6 MolecularWeight: 413.80784

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(C3=CC=C(C=C3)Cl)OC(=O)C4=CC=CO4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)[C@@H](C3=CC=C(C=C3)Cl)OC(=O)C4=CC=CO4

InChI

InChI=1S/C21H16ClNO6/c22-15-6-4-14(5-7-15)19(29-21(25)17-2-1-9-26-17)20(24)23-11-13-3-8-16-18(10-13)28-12-27-16/h1-10,19H,11-12H2,(H,23,24)/t19-/m1/s1