[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)C1=CC2=C(C(=C1)Cl)OCO2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)OC(=O)C1=CC2=C(C(=C1)Cl)OCO2)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClNO5/c1-3-14(15-7-5-4-6-8-15)11-23-20(24)13(2)28-21(25)16-9-17(22)19-18(10-16)26-12-27-19/h4-10,13-14H,3,11-12H2,1-2H3,(H,23,24)/t13-,14+/m0/s1