[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C24H24N2O5 MolecularWeight: 420.45776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H24N2O5/c1-3-7-18-16(4-2)23(17-8-5-6-9-19(17)26-18)24(28)29-13-22(27)25-15-10-11-20-21(12-15)31-14-30-20/h5-6,8-12H,3-4,7,13-14H2,1-2H3,(H,25,27)