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

Systemtic Name: 3-methyl-4-[2-[1-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]ethyl]phenyl]benzoic acid Openeye Name: 4-[2-[1-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]ethyl]phenyl]-3-methyl-benzoic acid CAS Name: 4-[2-[1-[2-hydroxy-3-[[2-methyl-1-(2-naphthalenyl)propan-2-yl]amino]propoxy]ethyl]phenyl]-3-methylbenzoic acid IUPAC Name: 4-[2-[1-[2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]ethyl]phenyl]-3-methylbenzoic acid Traditional Name: 4-[2-[1-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]ethyl]phenyl]-3-methyl-benzoic acid Formula: C33H37NO4 MolecularWeight: 511.65118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2C(C)OCC(CNC(C)(C)CC3=CC4=CC=CC=C4C=C3)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2C(C)OCC(CNC(C)(C)CC3=CC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C33H37NO4/c1-22-17-27(32(36)37)15-16-29(22)31-12-8-7-11-30(31)23(2)38-21-28(35)20-34-33(3,4)19-24-13-14-25-9-5-6-10-26(25)18-24/h5-18,23,28,34-35H,19-21H2,1-4H3,(H,36,37)