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

Systemtic Name: 6-cyano-7-[4-[2-(3-methoxyphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Openeye Name: 6-cyano-7-[4-[2-(3-methoxyphenyl)ethylcarbamoyl]phenoxy]chromane-4-carboxylic acid CAS Name: 6-cyano-7-[4-[[2-(3-methoxyphenyl)ethylamino]-oxomethyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 6-cyano-7-[4-[2-(3-methoxyphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Traditional Name: 6-cyano-7-[4-[2-(3-methoxyphenyl)ethylcarbamoyl]phenoxy]chroman-4-carboxylic acid Formula: C27H24N2O6 MolecularWeight: 472.48926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCNC(=O)C2=CC=C(C=C2)OC3=CC4=C(C=C3C#N)C(CCO4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CCNC(=O)C2=CC=C(C=C2)OC3=CC4=C(C=C3C#N)C(CCO4)C(=O)O

InChI

InChI=1S/C27H24N2O6/c1-33-21-4-2-3-17(13-21)9-11-29-26(30)18-5-7-20(8-6-18)35-24-15-25-23(14-19(24)16-28)22(27(31)32)10-12-34-25/h2-8,13-15,22H,9-12H2,1H3,(H,29,30)(H,31,32)