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

Systemtic Name: 3-[(3-chlorophenyl)-[(2-methoxycarbonylphenyl)methyl]amino]propanoic acid Openeye Name: 3-[3-chloro-N-[(2-methoxycarbonylphenyl)methyl]anilino]propanoic acid CAS Name: 3-[3-chloro-N-[(2-methoxycarbonylphenyl)methyl]anilino]propanoic acid IUPAC Name: 3-[3-chloro-N-[(2-methoxycarbonylphenyl)methyl]anilino]propanoic acid Traditional Name: 3-(N-(2-carbomethoxybenzyl)-3-chloro-anilino)propionic acid Formula: C18H18ClNO4 MolecularWeight: 347.79282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CN(CCC(=O)O)C2=CC(=CC=C2)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1CN(CCC(=O)O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H18ClNO4/c1-24-18(23)16-8-3-2-5-13(16)12-20(10-9-17(21)22)15-7-4-6-14(19)11-15/h2-8,11H,9-10,12H2,1H3,(H,21,22)