methyl (2S)-2-acetamido-3-[1-(4-bromophenyl)imidazol-4-yl]propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-[1-(4-bromophenyl)imidazol-4-yl]propanoate Openeye Name: methyl (2S)-2-acetamido-3-[1-(4-bromophenyl)imidazol-4-yl]propanoate CAS Name: (2S)-2-acetamido-3-[1-(4-bromophenyl)-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-[1-(4-bromophenyl)imidazol-4-yl]propanoate Traditional Name: (2S)-2-acetamido-3-[1-(4-bromophenyl)imidazol-4-yl]propionic acid methyl ester Formula: C15H16BrN3O3 MolecularWeight: 366.20984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CN(C=N1)C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CC1=CN(C=N1)C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C15H16BrN3O3/c1-10(20)18-14(15(21)22-2)7-12-8-19(9-17-12)13-5-3-11(16)4-6-13/h3-6,8-9,14H,7H2,1-2H3,(H,18,20)/t14-/m0/s1