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

Systemtic Name: sodium 6-chloranyl-7-[4-(phenethylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate Openeye Name: sodium 6-chloro-7-[4-(phenethylcarbamoyl)phenoxy]chromane-4-carboxylate CAS Name: sodium 6-chloro-7-[4-[oxo-(phenethylamino)methyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylate IUPAC Name: sodium 6-chloro-7-[4-(phenethylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate Traditional Name: sodium 6-chloro-7-[4-(phenethylcarbamoyl)phenoxy]chroman-4-carboxylate Formula: C25H21ClNNaO5 MolecularWeight: 473.88071

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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.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClNO5.Na/c26-21-14-20-19(25(29)30)11-13-31-22(20)15-23(21)32-18-8-6-17(7-9-18)24(28)27-12-10-16-4-2-1-3-5-16;/h1-9,14-15,19H,10-13H2,(H,27,28)(H,29,30);/q;+1/p-1