4-chloranyl-3-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]benzoic acid Openeye Name: 4-chloro-3-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methyleneamino]benzoic acid CAS Name: 4-chloro-3-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylideneamino]benzoic acid IUPAC Name: 4-chloro-3-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid Traditional Name: 4-chloro-3-[(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)amino]benzoic acid Formula: C19H18ClFN2O2 MolecularWeight: 360.809823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=NC2=C(C=CC(=C2)C(=O)O)Cl)F)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1C=NC2=C(C=CC(=C2)C(=O)O)Cl)F)N3CCCC3

InChI

InChI=1S/C19H18ClFN2O2/c1-12-8-18(23-6-2-3-7-23)16(21)9-14(12)11-22-17-10-13(19(24)25)4-5-15(17)20/h4-5,8-11H,2-3,6-7H2,1H3,(H,24,25)