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

Systemtic Name: sodium 7-[4-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenoxy]-6-chloranyl-3,4-dihydro-2H-chromene-4-carboxylate Openeye Name: sodium 7-[4-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenoxy]-6-chloro-chromane-4-carboxylate CAS Name: sodium 7-[4-[[2-(4-tert-butylphenyl)ethylamino]-oxomethyl]phenoxy]-6-chloro-3,4-dihydro-2H-1-benzopyran-4-carboxylate IUPAC Name: sodium 7-[4-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenoxy]-6-chloro-3,4-dihydro-2H-chromene-4-carboxylate Traditional Name: sodium 7-[4-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenoxy]-6-chloro-chroman-4-carboxylate Formula: C29H29ClNNaO5 MolecularWeight: 529.98703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)OC3=C(C=C4C(CCOC4=C3)C(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)OC3=C(C=C4C(CCOC4=C3)C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C29H30ClNO5.Na/c1-29(2,3)20-8-4-18(5-9-20)12-14-31-27(32)19-6-10-21(11-7-19)36-26-17-25-23(16-24(26)30)22(28(33)34)13-15-35-25;/h4-11,16-17,22H,12-15H2,1-3H3,(H,31,32)(H,33,34);/q;+1/p-1