2-[[3-methyl-4-(3-phenylpropanoylamino)phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[3-methyl-4-(3-phenylpropanoylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-methyl-4-(3-phenylpropanoylamino)benzoyl]amino]benzoic acid CAS Name: 2-[[[3-methyl-4-[(1-oxo-3-phenylpropyl)amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-methyl-4-(3-phenylpropanoylamino)benzoyl]amino]benzoic acid Traditional Name: 2-[[4-(hydrocinnamoylamino)-3-methyl-benzoyl]amino]benzoic acid Formula: C24H22N2O4 MolecularWeight: 402.44248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H22N2O4/c1-16-15-18(23(28)26-21-10-6-5-9-19(21)24(29)30)12-13-20(16)25-22(27)14-11-17-7-3-2-4-8-17/h2-10,12-13,15H,11,14H2,1H3,(H,25,27)(H,26,28)(H,29,30)