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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C20H20ClNO5/c1-13(2)22(10-14-6-4-3-5-7-14)18(23)11-25-20(24)15-8-16(21)19-17(9-15)26-12-27-19/h3-9,13H,10-12H2,1-2H3