1,3-benzodioxol-5-yl 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid 1,3-benzodioxol-5-yl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21NO4/c1-3-7-17-15(4-2)21(16-8-5-6-9-18(16)23-17)22(24)27-14-10-11-19-20(12-14)26-13-25-19/h5-6,8-12H,3-4,7,13H2,1-2H3