sodium 4-[2-cyano-3-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]butanoic acid

Systemtic Name: sodium 4-[2-cyano-3-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]butanoic acid Openeye Name: sodium 4-[2-cyano-3-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]butanoic acid CAS Name: sodium 4-[2-cyano-3-[2-hydroxy-3-[[2-methyl-1-(2-naphthalenyl)propan-2-yl]amino]propoxy]phenyl]butanoic acid IUPAC Name: sodium 4-[2-cyano-3-[2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]phenyl]butanoic acid Traditional Name: sodium 4-[2-cyano-3-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]butyric acid Formula: C28H32N2NaO4+ MolecularWeight: 483.55445

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=CC=CC(=C3C#N)CCCC(=O)O)O.[Na+]

Isomeric SMILES

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=CC=CC(=C3C#N)CCCC(=O)O)O.[Na+]

InChI

InChI=1S/C28H32N2O4.Na/c1-28(2,16-20-13-14-21-7-3-4-8-23(21)15-20)30-18-24(31)19-34-26-11-5-9-22(25(26)17-29)10-6-12-27(32)33;/h3-5,7-9,11,13-15,24,30-31H,6,10,12,16,18-19H2,1-2H3,(H,32,33);/q;+1