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

Systemtic Name: 4-[4-cyano-3-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]butanoic acid Openeye Name: 4-[4-cyano-3-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]butanoic acid CAS Name: 4-[4-cyano-3-[2-hydroxy-3-[[2-methyl-1-(2-naphthalenyl)propan-2-yl]amino]propoxy]phenyl]butanoic acid IUPAC Name: 4-[4-cyano-3-[2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]phenyl]butanoic acid Traditional Name: 4-[4-cyano-3-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]butyric acid Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C=CC(=C3)CCCC(=O)O)C#N)O

Isomeric SMILES

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C=CC(=C3)CCCC(=O)O)C#N)O

InChI

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