[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-(6-methoxy-2-naphthyl)quinoline-4-carboxylate CAS Name: 2-(6-methoxy-2-naphthalenyl)-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-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(6-methoxy-2-naphthyl)cinchoninic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C32H26N2O6 MolecularWeight: 534.55864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)C=C(C=C6)OC

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)C=C(C=C6)OC

InChI

InChI=1S/C32H26N2O6/c1-19(31(35)33-17-20-7-12-29-30(13-20)39-18-38-29)40-32(36)26-16-28(34-27-6-4-3-5-25(26)27)23-9-8-22-15-24(37-2)11-10-21(22)14-23/h3-16,19H,17-18H2,1-2H3,(H,33,35)