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

Systemtic Name: sodium 6-chloranyl-7-[4-(4-phenylbutylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate Openeye Name: sodium 6-chloro-7-[4-(4-phenylbutylcarbamoyl)phenoxy]chromane-4-carboxylate CAS Name: sodium 6-chloro-7-[4-[oxo-(4-phenylbutylamino)methyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylate IUPAC Name: sodium 6-chloro-7-[4-(4-phenylbutylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate Traditional Name: sodium 6-chloro-7-[4-(4-phenylbutylcarbamoyl)phenoxy]chroman-4-carboxylate Formula: C27H25ClNNaO5 MolecularWeight: 501.93387

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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)NCCCCC4=CC=CC=C4.[Na+]

Isomeric SMILES

C1COC2=CC(=C(C=C2C1C(=O)[O-])Cl)OC3=CC=C(C=C3)C(=O)NCCCCC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C27H26ClNO5.Na/c28-23-16-22-21(27(31)32)13-15-33-24(22)17-25(23)34-20-11-9-19(10-12-20)26(30)29-14-5-4-8-18-6-2-1-3-7-18;/h1-3,6-7,9-12,16-17,21H,4-5,8,13-15H2,(H,29,30)(H,31,32);/q;+1/p-1