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

Systemtic Name: 4-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]-3-methyl-benzoic acid Openeye Name: 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methyleneamino]-3-methyl-benzoic acid CAS Name: 4-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylideneamino]-3-methylbenzoic acid IUPAC Name: 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-methylbenzoic acid Traditional Name: 4-[(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)amino]-3-methyl-benzoic acid Formula: C20H21FN2O2 MolecularWeight: 340.391343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O2/c1-13-10-19(23-7-3-4-8-23)17(21)11-16(13)12-22-18-6-5-15(20(24)25)9-14(18)2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,24,25)