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

Systemtic Name: 7-[4-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methyl-phenoxy]-6-cyano-3,4-dihydro-2H-chromene-4-carboxylic acid Openeye Name: 7-[4-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methyl-phenoxy]-6-cyano-chromane-4-carboxylic acid CAS Name: 7-[4-[[2-(4-chlorophenyl)ethylamino]-oxomethyl]-2-methylphenoxy]-6-cyano-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 7-[4-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylphenoxy]-6-cyano-3,4-dihydro-2H-chromene-4-carboxylic acid Traditional Name: 7-[4-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methyl-phenoxy]-6-cyano-chroman-4-carboxylic acid Formula: C27H23ClN2O5 MolecularWeight: 490.93492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCCC2=CC=C(C=C2)Cl)OC3=CC4=C(C=C3C#N)C(CCO4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCCC2=CC=C(C=C2)Cl)OC3=CC4=C(C=C3C#N)C(CCO4)C(=O)O

InChI

InChI=1S/C27H23ClN2O5/c1-16-12-18(26(31)30-10-8-17-2-5-20(28)6-3-17)4-7-23(16)35-24-14-25-22(13-19(24)15-29)21(27(32)33)9-11-34-25/h2-7,12-14,21H,8-11H2,1H3,(H,30,31)(H,32,33)