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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid piperonyl ester Formula: C25H19NO4 MolecularWeight: 397.42266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H19NO4/c1-16-23(25(27)28-14-17-11-12-21-22(13-17)30-15-29-21)19-9-5-6-10-20(19)26-24(16)18-7-3-2-4-8-18/h2-13H,14-15H2,1H3