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

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

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H19NO4/c1-3-16-13(2)20(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


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