sodium 6-chloranyl-7-[4-[2-(3-methylphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate

Systemtic Name: sodium 6-chloranyl-7-[4-[2-(3-methylphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate Openeye Name: sodium 6-chloro-7-[4-[2-(m-tolyl)ethylcarbamoyl]phenoxy]chromane-4-carboxylate CAS Name: sodium 6-chloro-7-[4-[[2-(3-methylphenyl)ethylamino]-oxomethyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylate IUPAC Name: sodium 6-chloro-7-[4-[2-(3-methylphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate Traditional Name: sodium 6-chloro-7-[4-[2-(m-tolyl)ethylcarbamoyl]phenoxy]chroman-4-carboxylate Formula: C26H23ClNNaO5 MolecularWeight: 487.90729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCNC(=O)C2=CC=C(C=C2)OC3=C(C=C4C(CCOC4=C3)C(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC1=CC(=CC=C1)CCNC(=O)C2=CC=C(C=C2)OC3=C(C=C4C(CCOC4=C3)C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C26H24ClNO5.Na/c1-16-3-2-4-17(13-16)9-11-28-25(29)18-5-7-19(8-6-18)33-24-15-23-21(14-22(24)27)20(26(30)31)10-12-32-23;/h2-8,13-15,20H,9-12H2,1H3,(H,28,29)(H,30,31);/q;+1/p-1