2-methyl-3-[[2-(2-phenylbutanoylamino)phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-methyl-3-[[2-(2-phenylbutanoylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 2-methyl-3-[[2-(2-phenylbutanoylamino)benzoyl]amino]benzoic acid CAS Name: 2-methyl-3-[[oxo-[2-[(1-oxo-2-phenylbutyl)amino]phenyl]methyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[[2-(2-phenylbutanoylamino)benzoyl]amino]benzoic acid Traditional Name: 2-methyl-3-[[2-(2-phenylbutanoylamino)benzoyl]amino]benzoic acid Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC(=C3C)C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC(=C3C)C(=O)O

InChI

InChI=1S/C25H24N2O4/c1-3-18(17-10-5-4-6-11-17)23(28)27-22-14-8-7-12-20(22)24(29)26-21-15-9-13-19(16(21)2)25(30)31/h4-15,18H,3H2,1-2H3,(H,26,29)(H,27,28)(H,30,31)