methyl (E)-3-[3-[propan-2-ylcarbamoyl-[[4-[3-(trifluoromethyloxy)phenyl]phenyl]methyl]amino]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[3-[propan-2-ylcarbamoyl-[[4-[3-(trifluoromethyloxy)phenyl]phenyl]methyl]amino]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[3-[isopropylcarbamoyl-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[3-[[oxo-(propan-2-ylamino)methyl]-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]amino]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[propan-2-ylcarbamoyl-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-[isopropylcarbamoyl-[4-[3-(trifluoromethoxy)phenyl]benzyl]amino]phenyl]acrylic acid methyl ester Formula: C28H27F3N2O4 MolecularWeight: 512.52019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N(CC1=CC=C(C=C1)C2=CC(=CC=C2)OC(F)(F)F)C3=CC=CC(=C3)C=CC(=O)OC

Isomeric SMILES

CC(C)NC(=O)N(CC1=CC=C(C=C1)C2=CC(=CC=C2)OC(F)(F)F)C3=CC=CC(=C3)/C=C/C(=O)OC

InChI

InChI=1S/C28H27F3N2O4/c1-19(2)32-27(35)33(24-8-4-6-20(16-24)12-15-26(34)36-3)18-21-10-13-22(14-11-21)23-7-5-9-25(17-23)37-28(29,30)31/h4-17,19H,18H2,1-3H3,(H,32,35)/b15-12+