4-[(2-phenylbutanoylamino)methyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H19NO3/c1-2-16(14-6-4-3-5-7-14)17(20)19-12-13-8-10-15(11-9-13)18(21)22/h3-11,16H,2,12H2,1H3,(H,19,20)(H,21,22)