2-[[4-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(1,3-benzodioxole-5-carbonylamino)-3-methyl-benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-methylphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-(1,3-benzodioxole-5-carbonylamino)-3-methylbenzoyl]amino]acetic acid Traditional Name: 2-[[3-methyl-4-(piperonyloylamino)benzoyl]amino]acetic acid Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(=O)O)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(=O)O)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H16N2O6/c1-10-6-11(17(23)19-8-16(21)22)2-4-13(10)20-18(24)12-3-5-14-15(7-12)26-9-25-14/h2-7H,8-9H2,1H3,(H,19,23)(H,20,24)(H,21,22)