6-cyano-7-[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid

Systemtic Name: 6-cyano-7-[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Openeye Name: 6-cyano-7-[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenoxy]chromane-4-carboxylic acid CAS Name: 6-cyano-7-[4-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 6-cyano-7-[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Traditional Name: 6-cyano-7-[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenoxy]chroman-4-carboxylic acid Formula: C26H21FN2O5 MolecularWeight: 460.453743

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C1C(=O)O)C=C(C(=C2)OC3=CC=C(C=C3)C(=O)NCCC4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1COC2=C(C1C(=O)O)C=C(C(=C2)OC3=CC=C(C=C3)C(=O)NCCC4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C26H21FN2O5/c27-19-5-1-16(2-6-19)9-11-29-25(30)17-3-7-20(8-4-17)34-23-14-24-22(13-18(23)15-28)21(26(31)32)10-12-33-24/h1-8,13-14,21H,9-12H2,(H,29,30)(H,31,32)