4-chloranyl-2-[(3,5-dimethoxy-4-prop-2-enoxy-phenyl)methylamino]-5-fluoranyl-benzoic acid

Systemtic Name: 4-chloranyl-2-[(3,5-dimethoxy-4-prop-2-enoxy-phenyl)methylamino]-5-fluoranyl-benzoic acid Openeye Name: 2-[(4-allyloxy-3,5-dimethoxy-phenyl)methylamino]-4-chloro-5-fluoro-benzoic acid CAS Name: 4-chloro-2-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methylamino]-5-fluorobenzoic acid IUPAC Name: 4-chloro-2-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methylamino]-5-fluorobenzoic acid Traditional Name: 2-[(4-allyloxy-3,5-dimethoxy-benzyl)amino]-4-chloro-5-fluoro-benzoic acid Formula: C19H19ClFNO5 MolecularWeight: 395.809263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC=C)OC)CNC2=CC(=C(C=C2C(=O)O)F)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OCC=C)OC)CNC2=CC(=C(C=C2C(=O)O)F)Cl

InChI

InChI=1S/C19H19ClFNO5/c1-4-5-27-18-16(25-2)6-11(7-17(18)26-3)10-22-15-9-13(20)14(21)8-12(15)19(23)24/h4,6-9,22H,1,5,10H2,2-3H3,(H,23,24)