3-[(2S)-2-azanyl-3-(4-phenylmethoxyphenyl)propanoyl]benzoic acid

Systemtic Name: 3-[(2S)-2-azanyl-3-(4-phenylmethoxyphenyl)propanoyl]benzoic acid Openeye Name: 3-[(2S)-2-amino-3-(4-benzyloxyphenyl)propanoyl]benzoic acid CAS Name: 3-[(2S)-2-amino-1-oxo-3-(4-phenylmethoxyphenyl)propyl]benzoic acid IUPAC Name: 3-[(2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoyl]benzoic acid Traditional Name: 3-[(2S)-2-amino-3-(4-benzoxyphenyl)propanoyl]benzoic acid Formula: C23H21NO4 MolecularWeight: 375.41714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=O)C3=CC(=CC=C3)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C[C@@H](C(=O)C3=CC(=CC=C3)C(=O)O)N

InChI

InChI=1S/C23H21NO4/c24-21(22(25)18-7-4-8-19(14-18)23(26)27)13-16-9-11-20(12-10-16)28-15-17-5-2-1-3-6-17/h1-12,14,21H,13,15,24H2,(H,26,27)/t21-/m0/s1