benzotriazol-1-ylmethyl 2-phenylquinoline-4-carboxylate

Systemtic Name: benzotriazol-1-ylmethyl 2-phenylquinoline-4-carboxylate Openeye Name: benzotriazol-1-ylmethyl 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid 1-benzotriazolylmethyl ester IUPAC Name: benzotriazol-1-ylmethyl 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid benzotriazol-1-ylmethyl ester Formula: C23H16N4O2 MolecularWeight: 380.39874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H16N4O2/c28-23(29-15-27-22-13-7-6-12-20(22)25-26-27)18-14-21(16-8-2-1-3-9-16)24-19-11-5-4-10-17(18)19/h1-14H,15H2