2-[[3-[4-(1,3-benzodioxol-5-yl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-[4-(1,3-benzodioxol-5-yl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-2-hydroxy-2-oxo-ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-[4-(1,3-benzodioxol-5-yl)phenyl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-[4-(1,3-benzodioxol-5-yl)phenyl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-[4-(1,3-benzodioxol-5-yl)benzyl]-2-hydroxy-2-keto-ethyl]amino]-4-methyl-valeric acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6/c1-13(2)9-17(21(24)25)23-18(22(26)27)10-14-3-5-15(6-4-14)16-7-8-19-20(11-16)29-12-28-19/h3-8,11,13,17-18,23H,9-10,12H2,1-2H3,(H,24,25)(H,26,27)