5-methyl-2-(3-phenylpropanoylamino)benzoate

Systemtic Name: 5-methyl-2-(3-phenylpropanoylamino)benzoate Openeye Name: 5-methyl-2-(3-phenylpropanoylamino)benzoate CAS Name: 5-methyl-2-[(1-oxo-3-phenylpropyl)amino]benzoate IUPAC Name: 5-methyl-2-(3-phenylpropanoylamino)benzoate Traditional Name: 2-(hydrocinnamoylamino)-5-methyl-benzoate Formula: C17H16NO3- MolecularWeight: 282.31384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C17H17NO3/c1-12-7-9-15(14(11-12)17(20)21)18-16(19)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,18,19)(H,20,21)/p-1