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

Systemtic Name: sodium 6-chloranyl-7-[4-(2-cyclohexylethylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate Openeye Name: sodium 6-chloro-7-[4-(2-cyclohexylethylcarbamoyl)phenoxy]chromane-4-carboxylate CAS Name: sodium 6-chloro-7-[4-[(2-cyclohexylethylamino)-oxomethyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylate IUPAC Name: sodium 6-chloro-7-[4-(2-cyclohexylethylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate Traditional Name: sodium 6-chloro-7-[4-(2-cyclohexylethylcarbamoyl)phenoxy]chroman-4-carboxylate Formula: C25H27ClNNaO5 MolecularWeight: 479.92835

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCNC(=O)C2=CC=C(C=C2)OC3=C(C=C4C(CCOC4=C3)C(=O)[O-])Cl.[Na+]

Isomeric SMILES

C1CCC(CC1)CCNC(=O)C2=CC=C(C=C2)OC3=C(C=C4C(CCOC4=C3)C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C25H28ClNO5.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;/h6-9,14-16,19H,1-5,10-13H2,(H,27,28)(H,29,30);/q;+1/p-1