1,3-benzodioxol-5-ylmethyl 2-ethyl-4-methyl-quinoline-3-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid piperonyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H19NO4/c1-3-16-20(13(2)15-6-4-5-7-17(15)22-16)21(23)24-11-14-8-9-18-19(10-14)26-12-25-18/h4-10H,3,11-12H2,1-2H3