5-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloro-anilino]-5-oxo-pentanoic acid CAS Name: 5-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-chloroanilino]-5-oxopentanoic acid IUPAC Name: 5-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloroanilino]-5-oxopentanoic acid Traditional Name: 5-[4-chloro-2-(piperonylcarbamoyl)anilino]-5-keto-valeric acid Formula: C20H19ClN2O6 MolecularWeight: 418.82766

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)Cl)NC(=O)CCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)Cl)NC(=O)CCCC(=O)O

InChI

InChI=1S/C20H19ClN2O6/c21-13-5-6-15(23-18(24)2-1-3-19(25)26)14(9-13)20(27)22-10-12-4-7-16-17(8-12)29-11-28-16/h4-9H,1-3,10-11H2,(H,22,27)(H,23,24)(H,25,26)