(2S)-2-azaniumyl-3-[4-(phenylcarbonyl)phenyl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[4-(phenylcarbonyl)phenyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-(4-benzoylphenyl)propanoate CAS Name: (2S)-2-ammonio-3-(4-benzoylphenyl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(4-benzoylphenyl)propanoate Traditional Name: (2S)-2-ammonio-3-(4-benzoylphenyl)propionate Formula: C16H15NO3 MolecularWeight: 269.2952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1