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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H24N2O6/c1-13(2)9-17(22(27)28)23-20(25)11-14-5-3-4-6-16(14)24-21(26)15-7-8-18-19(10-15)30-12-29-18/h3-8,10,13,17H,9,11-12H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)