2-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-(4-fluorophenyl)amino]ethanoic acid

Systemtic Name: 2-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-(4-fluorophenyl)amino]ethanoic acid Openeye Name: 2-(N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-fluoro-anilino)acetic acid CAS Name: 2-(N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-4-fluoroanilino)acetic acid IUPAC Name: 2-(N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluoroanilino)acetic acid Traditional Name: 2-(N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-fluoro-anilino)acetic acid Formula: C20H19FN2O4 MolecularWeight: 370.374263

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC(=O)O)C3=CC=C(C=C3)F)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC(=O)O)C3=CC=C(C=C3)F)O)C

InChI

InChI=1S/C20H19FN2O4/c1-20(2)19(26)18(15-9-12(10-22)3-8-16(15)27-20)23(11-17(24)25)14-6-4-13(21)5-7-14/h3-9,18-19,26H,11H2,1-2H3,(H,24,25)