[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C30H22N2O5 MolecularWeight: 490.50608

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C30H22N2O5/c33-29(31-16-19-12-13-27-28(14-19)37-18-36-27)17-35-30(34)24-15-26(32-25-11-4-3-9-23(24)25)22-10-5-7-20-6-1-2-8-21(20)22/h1-15H,16-18H2,(H,31,33)