4-[[2,2-diphenylethanoyl(3-methylbutan-2-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[2,2-diphenylethanoyl(3-methylbutan-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[1,2-dimethylpropyl-(2,2-diphenylacetyl)amino]methyl]benzoic acid CAS Name: 4-[[3-methylbutan-2-yl-(1-oxo-2,2-diphenylethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2,2-diphenylacetyl)-(3-methylbutan-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[1,2-dimethylpropyl-(2,2-diphenylacetyl)amino]methyl]benzoic acid Formula: C27H29NO3 MolecularWeight: 415.52406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)N(CC1=CC=C(C=C1)C(=O)O)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C)N(CC1=CC=C(C=C1)C(=O)O)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H29NO3/c1-19(2)20(3)28(18-21-14-16-24(17-15-21)27(30)31)26(29)25(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-17,19-20,25H,18H2,1-3H3,(H,30,31)