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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=CC=CC(=C3C#N)CCC(=O)O)O

Isomeric SMILES

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=CC=CC(=C3C#N)CCC(=O)O)O

InChI

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