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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3/c20-17(8-4-7-14-5-2-1-3-6-14)19-13-15-9-11-16(12-10-15)18(21)22/h1-3,5-6,9-12H,4,7-8,13H2,(H,19,20)(H,21,22)