sodium 7-[4-[2-(5-bromanyl-2-methoxy-phenyl)ethylcarbamoyl]phenoxy]-6-chloranyl-3,4-dihydro-2H-chromene-4-carboxylate

Systemtic Name: sodium 7-[4-[2-(5-bromanyl-2-methoxy-phenyl)ethylcarbamoyl]phenoxy]-6-chloranyl-3,4-dihydro-2H-chromene-4-carboxylate Openeye Name: sodium 7-[4-[2-(5-bromo-2-methoxy-phenyl)ethylcarbamoyl]phenoxy]-6-chloro-chromane-4-carboxylate CAS Name: sodium 7-[4-[[2-(5-bromo-2-methoxyphenyl)ethylamino]-oxomethyl]phenoxy]-6-chloro-3,4-dihydro-2H-1-benzopyran-4-carboxylate IUPAC Name: sodium 7-[4-[2-(5-bromo-2-methoxyphenyl)ethylcarbamoyl]phenoxy]-6-chloro-3,4-dihydro-2H-chromene-4-carboxylate Traditional Name: sodium 7-[4-[2-(5-bromo-2-methoxy-phenyl)ethylcarbamoyl]phenoxy]-6-chloro-chroman-4-carboxylate Formula: C26H22BrClNNaO6 MolecularWeight: 582.80275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CCNC(=O)C2=CC=C(C=C2)OC3=C(C=C4C(CCOC4=C3)C(=O)[O-])Cl.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CCNC(=O)C2=CC=C(C=C2)OC3=C(C=C4C(CCOC4=C3)C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C26H23BrClNO6.Na/c1-33-22-7-4-17(27)12-16(22)8-10-29-25(30)15-2-5-18(6-3-15)35-24-14-23-20(13-21(24)28)19(26(31)32)9-11-34-23;/h2-7,12-14,19H,8-11H2,1H3,(H,29,30)(H,31,32);/q;+1/p-1