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

Systemtic Name: 2-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-(4-fluoranyl-3-phenylmethoxycarbonyl-phenyl)amino]ethanoic acid Openeye Name: 2-(3-benzyloxycarbonyl-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-fluoro-3-phenylmethoxycarbonylanilino)acetic acid IUPAC Name: 2-(N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluoro-3-phenylmethoxycarbonylanilino)acetic acid Traditional Name: 2-(3-carbobenzoxy-N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-fluoro-anilino)acetic acid Formula: C28H25FN2O6 MolecularWeight: 504.506303

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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)C(=O)OCC4=CC=CC=C4)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)C(=O)OCC4=CC=CC=C4)O)C

InChI

InChI=1S/C28H25FN2O6/c1-28(2)26(34)25(21-12-18(14-30)8-11-23(21)37-28)31(15-24(32)33)19-9-10-22(29)20(13-19)27(35)36-16-17-6-4-3-5-7-17/h3-13,25-26,34H,15-16H2,1-2H3,(H,32,33)