7-[4-[(5-chloranylpyridin-2-yl)carbamoyl]phenoxy]-6-cyano-3,4-dihydro-2H-chromene-4-carboxylic acid

Systemtic Name: 7-[4-[(5-chloranylpyridin-2-yl)carbamoyl]phenoxy]-6-cyano-3,4-dihydro-2H-chromene-4-carboxylic acid Openeye Name: 7-[4-[(5-chloro-2-pyridyl)carbamoyl]phenoxy]-6-cyano-chromane-4-carboxylic acid CAS Name: 7-[4-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]phenoxy]-6-cyano-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 7-[4-[(5-chloropyridin-2-yl)carbamoyl]phenoxy]-6-cyano-3,4-dihydro-2H-chromene-4-carboxylic acid Traditional Name: 7-[4-[(5-chloro-2-pyridyl)carbamoyl]phenoxy]-6-cyano-chroman-4-carboxylic acid Formula: C23H16ClN3O5 MolecularWeight: 449.84324

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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)NC4=NC=C(C=C4)Cl)C#N

Isomeric SMILES

C1COC2=C(C1C(=O)O)C=C(C(=C2)OC3=CC=C(C=C3)C(=O)NC4=NC=C(C=C4)Cl)C#N

InChI

InChI=1S/C23H16ClN3O5/c24-15-3-6-21(26-12-15)27-22(28)13-1-4-16(5-2-13)32-19-10-20-18(9-14(19)11-25)17(23(29)30)7-8-31-20/h1-6,9-10,12,17H,7-8H2,(H,29,30)(H,26,27,28)