(2S)-3-[4-acetyloxy-3,5-bis(bromanyl)phenyl]-2-benzamido-propanoic acid

Systemtic Name: (2S)-3-[4-acetyloxy-3,5-bis(bromanyl)phenyl]-2-benzamido-propanoic acid Openeye Name: (2S)-3-(4-acetoxy-3,5-dibromo-phenyl)-2-benzamido-propanoic acid CAS Name: (2S)-3-(4-acetyloxy-3,5-dibromophenyl)-2-benzamidopropanoic acid IUPAC Name: (2S)-3-(4-acetyloxy-3,5-dibromophenyl)-2-benzamidopropanoic acid Traditional Name: (2S)-3-(4-acetoxy-3,5-dibromo-phenyl)-2-benzamido-propionic acid Formula: C18H15Br2NO5 MolecularWeight: 485.1234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1Br)CC(C(=O)O)NC(=O)C2=CC=CC=C2)Br

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1Br)C[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2)Br

InChI

InChI=1S/C18H15Br2NO5/c1-10(22)26-16-13(19)7-11(8-14(16)20)9-15(18(24)25)21-17(23)12-5-3-2-4-6-12/h2-8,15H,9H2,1H3,(H,21,23)(H,24,25)/t15-/m0/s1