3-[1-(1,3-benzodioxol-5-ylcarbonyl)-2-oxidanylidene-3,4-dihydroquinolin-8-yl]propanoic acid

Systemtic Name: 3-[1-(1,3-benzodioxol-5-ylcarbonyl)-2-oxidanylidene-3,4-dihydroquinolin-8-yl]propanoic acid Openeye Name: 3-[1-(1,3-benzodioxole-5-carbonyl)-2-oxo-3,4-dihydroquinolin-8-yl]propanoic acid CAS Name: 3-[1-[1,3-benzodioxol-5-yl(oxo)methyl]-2-oxo-3,4-dihydroquinolin-8-yl]propanoic acid IUPAC Name: 3-[1-(1,3-benzodioxole-5-carbonyl)-2-oxo-3,4-dihydroquinolin-8-yl]propanoic acid Traditional Name: 3-(2-keto-1-piperonyloyl-3,4-dihydroquinolin-8-yl)propionic acid Formula: C20H17NO6 MolecularWeight: 367.35208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C2=C1C=CC=C2CCC(=O)O)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(=O)N(C2=C1C=CC=C2CCC(=O)O)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17NO6/c22-17-8-5-12-2-1-3-13(6-9-18(23)24)19(12)21(17)20(25)14-4-7-15-16(10-14)27-11-26-15/h1-4,7,10H,5-6,8-9,11H2,(H,23,24)