5-[[3-carboxy-4-(2-methylpropanoylamino)phenyl]methyl]-2-(2-methylpropanoylamino)benzoic acid

Systemtic Name: 5-[[3-carboxy-4-(2-methylpropanoylamino)phenyl]methyl]-2-(2-methylpropanoylamino)benzoic acid Openeye Name: 5-[[3-carboxy-4-(2-methylpropanoylamino)phenyl]methyl]-2-(2-methylpropanoylamino)benzoic acid CAS Name: 5-[[3-carboxy-4-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-2-[(2-methyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 5-[[3-carboxy-4-(2-methylpropanoylamino)phenyl]methyl]-2-(2-methylpropanoylamino)benzoic acid Traditional Name: 5-[3-carboxy-4-(isobutyrylamino)benzyl]-2-(isobutyrylamino)benzoic acid Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C(C=C1)CC2=CC(=C(C=C2)NC(=O)C(C)C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)CC2=CC(=C(C=C2)NC(=O)C(C)C)C(=O)O)C(=O)O

InChI

InChI=1S/C23H26N2O6/c1-12(2)20(26)24-18-7-5-14(10-16(18)22(28)29)9-15-6-8-19(17(11-15)23(30)31)25-21(27)13(3)4/h5-8,10-13H,9H2,1-4H3,(H,24,26)(H,25,27)(H,28,29)(H,30,31)