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

Systemtic Name: 2-[[3-(1,3-benzodioxol-5-ylcarbonylamino)-4-chloranyl-phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-(1,3-benzodioxole-5-carbonylamino)-4-chloro-benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-chlorophenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-(1,3-benzodioxole-5-carbonylamino)-4-chlorobenzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-chloro-3-(piperonyloylamino)benzoyl]amino]-4-methyl-valeric acid Formula: C21H21ClN2O6 MolecularWeight: 432.85424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O6/c1-11(2)7-16(21(27)28)24-19(25)12-3-5-14(22)15(8-12)23-20(26)13-4-6-17-18(9-13)30-10-29-17/h3-6,8-9,11,16H,7,10H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)