methyl 2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbonyloxymethyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbonyloxymethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)oxymethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-oxomethoxy]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)oxymethyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C27H22N4O4 MolecularWeight: 466.48798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)OCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C5=CC=CC=C5)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)OCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C5=CC=CC=C5)C

InChI

InChI=1S/C27H22N4O4/c1-16-20-13-18(14-28-25(20)31(2)30-16)26(32)35-15-22-24(27(33)34-3)23(17-9-5-4-6-10-17)19-11-7-8-12-21(19)29-22/h4-14H,15H2,1-3H3