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

Systemtic Name: sodium 6-chloranyl-7-[4-[(3-phenylcyclobutyl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate Openeye Name: sodium 6-chloro-7-[4-[(3-phenylcyclobutyl)carbamoyl]phenoxy]chromane-4-carboxylate CAS Name: sodium 6-chloro-7-[4-[oxo-[(3-phenylcyclobutyl)amino]methyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylate IUPAC Name: sodium 6-chloro-7-[4-[(3-phenylcyclobutyl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate Traditional Name: sodium 6-chloro-7-[4-[(3-phenylcyclobutyl)carbamoyl]phenoxy]chroman-4-carboxylate Formula: C27H23ClNNaO5 MolecularWeight: 499.91799

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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)NC4CC(C4)C5=CC=CC=C5.[Na+]

Isomeric SMILES

C1COC2=CC(=C(C=C2C1C(=O)[O-])Cl)OC3=CC=C(C=C3)C(=O)NC4CC(C4)C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C27H24ClNO5.Na/c28-23-14-22-21(27(31)32)10-11-33-24(22)15-25(23)34-20-8-6-17(7-9-20)26(30)29-19-12-18(13-19)16-4-2-1-3-5-16;/h1-9,14-15,18-19,21H,10-13H2,(H,29,30)(H,31,32);/q;+1/p-1