(2S)-4-(4-bromophenyl)-2-[(4-methoxyphenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-(4-bromophenyl)-2-[(4-methoxyphenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(4-bromophenyl)-2-[(4-methoxyphenyl)methylamino]-4-oxo-butanoic acid CAS Name: (2S)-4-(4-bromophenyl)-2-[(4-methoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: (2S)-4-(4-bromophenyl)-2-[(4-methoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: (2S)-4-(4-bromophenyl)-4-keto-2-(p-anisylamino)butyric acid Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(CC(=O)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN[C@@H](CC(=O)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C18H18BrNO4/c1-24-15-8-2-12(3-9-15)11-20-16(18(22)23)10-17(21)13-4-6-14(19)7-5-13/h2-9,16,20H,10-11H2,1H3,(H,22,23)/t16-/m0/s1