3-[(4-bromophenyl)-[(2-methoxycarbonylphenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(4-bromophenyl)-[(2-methoxycarbonylphenyl)methyl]amino]propanoic acid Openeye Name: 3-[4-bromo-N-[(2-methoxycarbonylphenyl)methyl]anilino]propanoic acid CAS Name: 3-[4-bromo-N-[(2-methoxycarbonylphenyl)methyl]anilino]propanoic acid IUPAC Name: 3-[4-bromo-N-[(2-methoxycarbonylphenyl)methyl]anilino]propanoic acid Traditional Name: 3-(4-bromo-N-(2-carbomethoxybenzyl)anilino)propionic acid Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CN(CCC(=O)O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1CN(CCC(=O)O)C2=CC=C(C=C2)Br

InChI

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