5-(phenylmethyl)-2-(propanoylamino)benzoic acid

Systemtic Name: 5-(phenylmethyl)-2-(propanoylamino)benzoic acid Openeye Name: 5-benzyl-2-(propanoylamino)benzoic acid CAS Name: 2-(1-oxopropylamino)-5-(phenylmethyl)benzoic acid IUPAC Name: 5-benzyl-2-(propanoylamino)benzoic acid Traditional Name: 5-benzyl-2-propionamido-benzoic acid Formula: C17H17NO3 MolecularWeight: 283.32178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H17NO3/c1-2-16(19)18-15-9-8-13(11-14(15)17(20)21)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,18,19)(H,20,21)