1,3-benzodioxol-5-yl 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid 1,3-benzodioxol-5-yl ester Formula: C29H19NO4 MolecularWeight: 445.46546

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H19NO4/c31-29(34-22-14-15-27-28(16-22)33-18-32-27)24-17-26(30-25-9-5-4-8-23(24)25)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-17H,18H2