[1-oxidanylidene-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [1-methyl-2-oxo-2-(tetralin-1-ylamino)ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-keto-1-methyl-2-(tetralin-1-ylamino)ethyl] ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC2=CC=CC=C12)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C(=O)NC1CCCC2=CC=CC=C12)OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO5/c1-13(27-21(24)15-9-10-18-19(11-15)26-12-25-18)20(23)22-17-8-4-6-14-5-2-3-7-16(14)17/h2-3,5,7,9-11,13,17H,4,6,8,12H2,1H3,(H,22,23)