3-methyl-4-(2-phenylbutanoylamino)benzoic acid

Systemtic Name: 3-methyl-4-(2-phenylbutanoylamino)benzoic acid Openeye Name: 3-methyl-4-(2-phenylbutanoylamino)benzoic acid CAS Name: 3-methyl-4-[(1-oxo-2-phenylbutyl)amino]benzoic acid IUPAC Name: 3-methyl-4-(2-phenylbutanoylamino)benzoic acid Traditional Name: 3-methyl-4-(2-phenylbutanoylamino)benzoic acid Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C18H19NO3/c1-3-15(13-7-5-4-6-8-13)17(20)19-16-10-9-14(18(21)22)11-12(16)2/h4-11,15H,3H2,1-2H3,(H,19,20)(H,21,22)