2-azanyl-4-[[4-(3-chloranyl-4-fluoranyl-phenyl)-2-ethyl-phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-4-[[4-(3-chloranyl-4-fluoranyl-phenyl)-2-ethyl-phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-amino-4-[4-(3-chloro-4-fluoro-phenyl)-2-ethyl-anilino]-4-oxo-butanoic acid CAS Name: 2-amino-4-[4-(3-chloro-4-fluorophenyl)-2-ethylanilino]-4-oxobutanoic acid IUPAC Name: 2-amino-4-[4-(3-chloro-4-fluorophenyl)-2-ethylanilino]-4-oxobutanoic acid Traditional Name: 2-amino-4-[4-(3-chloro-4-fluoro-phenyl)-2-ethyl-anilino]-4-keto-butyric acid Formula: C18H18ClFN2O3 MolecularWeight: 364.798523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=CC(=C(C=C2)F)Cl)NC(=O)CC(C(=O)O)N

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=CC(=C(C=C2)F)Cl)NC(=O)CC(C(=O)O)N

InChI

InChI=1S/C18H18ClFN2O3/c1-2-10-7-11(12-3-5-14(20)13(19)8-12)4-6-16(10)22-17(23)9-15(21)18(24)25/h3-8,15H,2,9,21H2,1H3,(H,22,23)(H,24,25)