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

Systemtic Name: 7-[4-[2-(4-chloranyl-3-methoxy-phenyl)ethylcarbamoyl]phenoxy]-6-cyano-3,4-dihydro-2H-chromene-4-carboxylic acid Openeye Name: 7-[4-[2-(4-chloro-3-methoxy-phenyl)ethylcarbamoyl]phenoxy]-6-cyano-chromane-4-carboxylic acid CAS Name: 7-[4-[[2-(4-chloro-3-methoxyphenyl)ethylamino]-oxomethyl]phenoxy]-6-cyano-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 7-[4-[2-(4-chloro-3-methoxyphenyl)ethylcarbamoyl]phenoxy]-6-cyano-3,4-dihydro-2H-chromene-4-carboxylic acid Traditional Name: 7-[4-[2-(4-chloro-3-methoxy-phenyl)ethylcarbamoyl]phenoxy]-6-cyano-chroman-4-carboxylic acid Formula: C27H23ClN2O6 MolecularWeight: 506.93432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23ClN2O6/c1-34-25-12-16(2-7-22(25)28)8-10-30-26(31)17-3-5-19(6-4-17)36-23-14-24-21(13-18(23)15-29)20(27(32)33)9-11-35-24/h2-7,12-14,20H,8-11H2,1H3,(H,30,31)(H,32,33)