[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-phenylquinoline-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C27H22N2O5 MolecularWeight: 454.47398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H22N2O5/c1-17(26(30)28-15-18-11-12-24-25(13-18)33-16-32-24)34-27(31)21-14-23(19-7-3-2-4-8-19)29-22-10-6-5-9-20(21)22/h2-14,17H,15-16H2,1H3,(H,28,30)