methyl 2-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoyloxymethyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoyloxymethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]oxymethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-oxoethoxy]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]oxymethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 4-phenyl-2-[[2-(piperonyloylamino)acetyl]oxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C28H22N2O7 MolecularWeight: 498.48348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C28H22N2O7/c1-34-28(33)26-21(30-20-10-6-5-9-19(20)25(26)17-7-3-2-4-8-17)15-35-24(31)14-29-27(32)18-11-12-22-23(13-18)37-16-36-22/h2-13H,14-16H2,1H3,(H,29,32)