[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-(4-sec-butylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-butan-2-ylphenyl)-4-quinolinecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-sec-butylphenyl)cinchoninic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C30H28N2O5 MolecularWeight: 496.55372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C30H28N2O5/c1-3-19(2)21-9-11-22(12-10-21)26-15-24(23-6-4-5-7-25(23)32-26)30(34)35-17-29(33)31-16-20-8-13-27-28(14-20)37-18-36-27/h4-15,19H,3,16-18H2,1-2H3,(H,31,33)