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

Systemtic Name: sodium 6-chloranyl-7-[4-(3-phenylpropylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate Openeye Name: sodium 6-chloro-7-[4-(3-phenylpropylcarbamoyl)phenoxy]chromane-4-carboxylate CAS Name: sodium 6-chloro-7-[4-[oxo-(3-phenylpropylamino)methyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylate IUPAC Name: sodium 6-chloro-7-[4-(3-phenylpropylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate Traditional Name: sodium 6-chloro-7-[4-(3-phenylpropylcarbamoyl)phenoxy]chroman-4-carboxylate Formula: C26H23ClNNaO5 MolecularWeight: 487.90729

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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)NCCCC4=CC=CC=C4.[Na+]

Isomeric SMILES

C1COC2=CC(=C(C=C2C1C(=O)[O-])Cl)OC3=CC=C(C=C3)C(=O)NCCCC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C26H24ClNO5.Na/c27-22-15-21-20(26(30)31)12-14-32-23(21)16-24(22)33-19-10-8-18(9-11-19)25(29)28-13-4-7-17-5-2-1-3-6-17;/h1-3,5-6,8-11,15-16,20H,4,7,12-14H2,(H,28,29)(H,30,31);/q;+1/p-1