(3S)-3-azanyl-3-(3-bromanyl-4-phenylmethoxy-phenyl)propanoic acid

Systemtic Name: (3S)-3-azanyl-3-(3-bromanyl-4-phenylmethoxy-phenyl)propanoic acid Openeye Name: (3S)-3-amino-3-(4-benzyloxy-3-bromo-phenyl)propanoic acid CAS Name: (3S)-3-amino-3-(3-bromo-4-phenylmethoxyphenyl)propanoic acid IUPAC Name: (3S)-3-amino-3-(3-bromo-4-phenylmethoxyphenyl)propanoic acid Traditional Name: (3S)-3-amino-3-(4-benzoxy-3-bromo-phenyl)propionic acid Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO3/c17-13-8-12(14(18)9-16(19)20)6-7-15(13)21-10-11-4-2-1-3-5-11/h1-8,14H,9-10,18H2,(H,19,20)/t14-/m0/s1