3-[[2-[(4-chloranyl-2-fluoranyl-phenyl)carbamoyl]cyclohexen-1-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-[(4-chloranyl-2-fluoranyl-phenyl)carbamoyl]cyclohexen-1-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-[(4-chloro-2-fluoro-phenyl)carbamoyl]cyclohexene-1-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-[(4-chloro-2-fluoroanilino)-oxomethyl]-1-cyclohexenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexene-1-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-[(4-chloro-2-fluoro-phenyl)carbamoyl]cyclohexene-1-carbonyl]amino]propionic acid Formula: C17H18ClFN2O4 MolecularWeight: 368.787223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C(=O)NCCC(=O)O)C(=O)NC2=C(C=C(C=C2)Cl)F

Isomeric SMILES

C1CCC(=C(C1)C(=O)NCCC(=O)O)C(=O)NC2=C(C=C(C=C2)Cl)F

InChI

InChI=1S/C17H18ClFN2O4/c18-10-5-6-14(13(19)9-10)21-17(25)12-4-2-1-3-11(12)16(24)20-8-7-15(22)23/h5-6,9H,1-4,7-8H2,(H,20,24)(H,21,25)(H,22,23)