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

Systemtic Name: sodium 6-chloranyl-7-[4-[2-(3-phenoxyphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate Openeye Name: sodium 6-chloro-7-[4-[2-(3-phenoxyphenyl)ethylcarbamoyl]phenoxy]chromane-4-carboxylate CAS Name: sodium 6-chloro-7-[4-[oxo-[2-(3-phenoxyphenyl)ethylamino]methyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylate IUPAC Name: sodium 6-chloro-7-[4-[2-(3-phenoxyphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate Traditional Name: sodium 6-chloro-7-[4-[2-(3-phenoxyphenyl)ethylcarbamoyl]phenoxy]chroman-4-carboxylate Formula: C31H25ClNNaO6 MolecularWeight: 565.97607

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC(=C(C=C2C1C(=O)[O-])Cl)OC3=CC=C(C=C3)C(=O)NCCC4=CC(=CC=C4)OC5=CC=CC=C5.[Na+]

Isomeric SMILES

C1COC2=CC(=C(C=C2C1C(=O)[O-])Cl)OC3=CC=C(C=C3)C(=O)NCCC4=CC(=CC=C4)OC5=CC=CC=C5.[Na+]

InChI

InChI=1S/C31H26ClNO6.Na/c32-27-18-26-25(31(35)36)14-16-37-28(26)19-29(27)39-23-11-9-21(10-12-23)30(34)33-15-13-20-5-4-8-24(17-20)38-22-6-2-1-3-7-22;/h1-12,17-19,25H,13-16H2,(H,33,34)(H,35,36);/q;+1/p-1