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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC=C(C=C1)OC2=C(C=C3C(CCOC3=C2)C(=O)[O-])Cl)C4=CC=CC=C4.[Na+]

Isomeric SMILES

C[C@H](CNC(=O)C1=CC=C(C=C1)OC2=C(C=C3C(CCOC3=C2)C(=O)[O-])Cl)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C26H24ClNO5.Na/c1-16(17-5-3-2-4-6-17)15-28-25(29)18-7-9-19(10-8-18)33-24-14-23-21(13-22(24)27)20(26(30)31)11-12-32-23;/h2-10,13-14,16,20H,11-12,15H2,1H3,(H,28,29)(H,30,31);/q;+1/p-1/t16-,20?;/m1./s1