3-[(3-chloranyl-4-fluoranyl-phenyl)-[(2-methoxycarbonylphenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)-[(2-methoxycarbonylphenyl)methyl]amino]propanoic acid Openeye Name: 3-[3-chloro-4-fluoro-N-[(2-methoxycarbonylphenyl)methyl]anilino]propanoic acid CAS Name: 3-[3-chloro-4-fluoro-N-[(2-methoxycarbonylphenyl)methyl]anilino]propanoic acid IUPAC Name: 3-[3-chloro-4-fluoro-N-[(2-methoxycarbonylphenyl)methyl]anilino]propanoic acid Traditional Name: 3-(N-(2-carbomethoxybenzyl)-3-chloro-4-fluoro-anilino)propionic acid Formula: C18H17ClFNO4 MolecularWeight: 365.783283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClFNO4/c1-25-18(24)14-5-3-2-4-12(14)11-21(9-8-17(22)23)13-6-7-16(20)15(19)10-13/h2-7,10H,8-9,11H2,1H3,(H,22,23)