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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N=CC2=CC(=C(C=C2C)N3CCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N=CC2=CC(=C(C=C2C)N3CCCC3)F

InChI

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