1-[2-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[2-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]cyclopentane-1-carboxylic acid Openeye Name: 1-[2-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)anilino]-2-oxo-ethyl]cyclopentanecarboxylic acid CAS Name: 1-[2-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]anilino]-2-oxoethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[2-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid Traditional Name: 1-[2-keto-2-[2-(piperonylcarbamoyl)anilino]ethyl]cyclopentanecarboxylic acid Formula: C23H24N2O6 MolecularWeight: 424.44646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CCC(C1)(CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C23H24N2O6/c26-20(12-23(22(28)29)9-3-4-10-23)25-17-6-2-1-5-16(17)21(27)24-13-15-7-8-18-19(11-15)31-14-30-18/h1-2,5-8,11H,3-4,9-10,12-14H2,(H,24,27)(H,25,26)(H,28,29)