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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-(1,3-benzodioxole-5-carbonylamino)-3-methyl-benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-methylphenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-(1,3-benzodioxole-5-carbonylamino)-3-methylbenzoyl]amino]-4-methylpentanoic acid Traditional Name: 4-methyl-2-[[3-methyl-4-(piperonyloylamino)benzoyl]amino]valeric acid Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6/c1-12(2)8-17(22(27)28)24-20(25)14-4-6-16(13(3)9-14)23-21(26)15-5-7-18-19(10-15)30-11-29-18/h4-7,9-10,12,17H,8,11H2,1-3H3,(H,23,26)(H,24,25)(H,27,28)