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

Systemtic Name: 4-[2-[1-[3-[[1-(3,4-dimethylphenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]ethyl]phenyl]-2-methyl-benzoic acid Openeye Name: 4-[2-[1-[3-[[2-(3,4-dimethylphenyl)-1,1-dimethyl-ethyl]amino]-2-hydroxy-propoxy]ethyl]phenyl]-2-methyl-benzoic acid CAS Name: 4-[2-[1-[3-[[1-(3,4-dimethylphenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]phenyl]-2-methylbenzoic acid IUPAC Name: 4-[2-[1-[3-[[1-(3,4-dimethylphenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]phenyl]-2-methylbenzoic acid Traditional Name: 4-[2-[1-[3-[[2-(3,4-dimethylphenyl)-1,1-dimethyl-ethyl]amino]-2-hydroxy-propoxy]ethyl]phenyl]-2-methyl-benzoic acid Formula: C31H39NO4 MolecularWeight: 489.64566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(C)(C)NCC(COC(C)C2=CC=CC=C2C3=CC(=C(C=C3)C(=O)O)C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(C)(C)NCC(COC(C)C2=CC=CC=C2C3=CC(=C(C=C3)C(=O)O)C)O)C

InChI

InChI=1S/C31H39NO4/c1-20-11-12-24(15-21(20)2)17-31(5,6)32-18-26(33)19-36-23(4)28-9-7-8-10-29(28)25-13-14-27(30(34)35)22(3)16-25/h7-16,23,26,32-33H,17-19H2,1-6H3,(H,34,35)