2-[[4-[2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxidanylidene-ethyl]phenyl]sulfanylmethyl]benzoic acid; 2-methylpropan-2-amine

Systemtic Name: 2-[[4-[2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxidanylidene-ethyl]phenyl]sulfanylmethyl]benzoic acid; 2-methylpropan-2-amine Openeye Name: 2-[[4-[2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxo-ethyl]phenyl]sulfanylmethyl]benzoic acid; 2-methylpropan-2-amine CAS Name: 2-[[[4-[2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]phenyl]thio]methyl]benzoic acid; 2-methyl-2-propanamine IUPAC Name: 2-[[4-[2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]phenyl]sulfanylmethyl]benzoic acid; 2-methylpropan-2-amine Traditional Name: tert-butylamine; 2-[[[4-[2-[ethyl-[4-(trifluoromethyl)benzyl]amino]-2-keto-ethyl]phenyl]thio]methyl]benzoic acid Formula: C30H35F3N2O3S MolecularWeight: 560.67071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)C(F)(F)F)C(=O)CC2=CC=C(C=C2)SCC3=CC=CC=C3C(=O)O.CC(C)(C)N

Isomeric SMILES

CCN(CC1=CC=C(C=C1)C(F)(F)F)C(=O)CC2=CC=C(C=C2)SCC3=CC=CC=C3C(=O)O.CC(C)(C)N

InChI

InChI=1S/C26H24F3NO3S.C4H11N/c1-2-30(16-19-7-11-21(12-8-19)26(27,28)29)24(31)15-18-9-13-22(14-10-18)34-17-20-5-3-4-6-23(20)25(32)33;1-4(2,3)5/h3-14H,2,15-17H2,1H3,(H,32,33);5H2,1-3H3