[2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[2-(4-isopropylphenyl)ethylamino]-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-keto-2-(2-p-cumenylethylamino)ethyl] ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C21H22ClNO5/c1-13(2)15-5-3-14(4-6-15)7-8-23-19(24)11-26-21(25)16-9-17(22)20-18(10-16)27-12-28-20/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,23,24)