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

Systemtic Name: 3-[4-cyano-3-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]propanoic acid Openeye Name: 3-[4-cyano-3-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]propanoic acid CAS Name: 3-[4-cyano-3-[2-hydroxy-3-[[2-methyl-1-(2-naphthalenyl)propan-2-yl]amino]propoxy]phenyl]propanoic acid IUPAC Name: 3-[4-cyano-3-[2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]phenyl]propanoic acid Traditional Name: 3-[4-cyano-3-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]propionic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4/c1-27(2,15-20-8-10-21-5-3-4-6-22(21)13-20)29-17-24(30)18-33-25-14-19(9-12-26(31)32)7-11-23(25)16-28/h3-8,10-11,13-14,24,29-30H,9,12,15,17-18H2,1-2H3,(H,31,32)