[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C19H16ClNO5 MolecularWeight: 373.78704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C19H16ClNO5/c20-14-8-12(9-15-17(14)25-10-24-15)19(23)26-16(11-4-2-1-3-5-11)18(22)21-13-6-7-13/h1-5,8-9,13,16H,6-7,10H2,(H,21,22)/t16-/m1/s1