sodium 2-[[4-[[3-[2,6-dimethyl-4-[(3S)-3-oxidanylbutoxy]phenyl]-2-methyl-phenyl]methoxy]phenyl]methyl]-1-oxa-2-aza-4-azanidacyclopentane-3,5-dione

Systemtic Name: sodium 2-[[4-[[3-[2,6-dimethyl-4-[(3S)-3-oxidanylbutoxy]phenyl]-2-methyl-phenyl]methoxy]phenyl]methyl]-1-oxa-2-aza-4-azanidacyclopentane-3,5-dione Openeye Name: sodium 2-[[4-[[3-[4-[(3S)-3-hydroxybutoxy]-2,6-dimethyl-phenyl]-2-methyl-phenyl]methoxy]phenyl]methyl]-1-oxa-2-aza-4-azanidacyclopentane-3,5-dione CAS Name: sodium 2-[[4-[[3-[4-[(3S)-3-hydroxybutoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]methyl]-1-oxa-2-aza-4-azanidacyclopentane-3,5-dione IUPAC Name: sodium 2-[[4-[[3-[4-[(3S)-3-hydroxybutoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]methyl]-1-oxa-2-aza-4-azanidacyclopentane-3,5-dione Traditional Name: sodium 2-[4-[3-[4-[(3S)-3-hydroxybutoxy]-2,6-dimethyl-phenyl]-2-methyl-benzyl]oxybenzyl]-1-oxa-2-aza-4-azanidacyclopentane-3,5-quinone Formula: C29H31N2NaO6 MolecularWeight: 526.55601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=C(C(=CC=C2)COC3=CC=C(C=C3)CN4C(=O)[N-]C(=O)O4)C)C)OCCC(C)O.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1C2=C(C(=CC=C2)COC3=CC=C(C=C3)CN4C(=O)[N-]C(=O)O4)C)C)OCC[C@H](C)O.[Na+]

InChI

InChI=1S/C29H32N2O6.Na/c1-18-14-25(35-13-12-20(3)32)15-19(2)27(18)26-7-5-6-23(21(26)4)17-36-24-10-8-22(9-11-24)16-31-28(33)30-29(34)37-31;/h5-11,14-15,20,32H,12-13,16-17H2,1-4H3,(H,30,33,34);/q;+1/p-1/t20-;/m0./s1