2-[2-[(2-chloranyl-6-fluoranyl-phenyl)amino]-5-ethyl-phenyl]butanedioic acid

Systemtic Name: 2-[2-[(2-chloranyl-6-fluoranyl-phenyl)amino]-5-ethyl-phenyl]butanedioic acid Openeye Name: 2-[2-(2-chloro-6-fluoro-anilino)-5-ethyl-phenyl]butanedioic acid CAS Name: 2-[2-(2-chloro-6-fluoroanilino)-5-ethylphenyl]butanedioic acid IUPAC Name: 2-[2-(2-chloro-6-fluoroanilino)-5-ethylphenyl]butanedioic acid Traditional Name: 2-[2-(2-chloro-6-fluoro-anilino)-5-ethyl-phenyl]succinic acid Formula: C18H17ClFNO4 MolecularWeight: 365.783283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NC2=C(C=CC=C2Cl)F)C(CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)NC2=C(C=CC=C2Cl)F)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C18H17ClFNO4/c1-2-10-6-7-15(21-17-13(19)4-3-5-14(17)20)11(8-10)12(18(24)25)9-16(22)23/h3-8,12,21H,2,9H2,1H3,(H,22,23)(H,24,25)