O1-ethyl O3-methyl 4-[4-[3-(dimethylcarbamoyl)-4-[[6-methyl-2-[4-(trifluoromethyl)phenyl]pyridin-3-yl]carbonylamino]phenyl]butanoyloxy]-5-methyl-benzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-methyl 4-[4-[3-(dimethylcarbamoyl)-4-[[6-methyl-2-[4-(trifluoromethyl)phenyl]pyridin-3-yl]carbonylamino]phenyl]butanoyloxy]-5-methyl-benzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-methyl 4-[4-[3-(dimethylcarbamoyl)-4-[[6-methyl-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]phenyl]butanoyloxy]-5-methyl-benzene-1,3-dicarboxylate CAS Name: 4-[4-[3-[dimethylamino(oxo)methyl]-4-[[[6-methyl-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-oxomethyl]amino]phenyl]-1-oxobutoxy]-5-methylbenzene-1,3-dicarboxylic acid O1-ethyl ester O3-methyl ester IUPAC Name: 1-O-ethyl 3-O-methyl 4-[4-[3-(dimethylcarbamoyl)-4-[[6-methyl-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]phenyl]butanoyloxy]-5-methylbenzene-1,3-dicarboxylate Traditional Name: 4-[4-[3-(dimethylcarbamoyl)-4-[[6-methyl-2-[4-(trifluoromethyl)phenyl]nicotinoyl]amino]phenyl]butanoyloxy]-5-methyl-benzene-1,3-dicarboxylic acid O1-ethyl ester O3-methyl ester Formula: C39H38F3N3O8 MolecularWeight: 733.72953

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)C)OC(=O)CCCC2=CC(=C(C=C2)NC(=O)C3=C(N=C(C=C3)C)C4=CC=C(C=C4)C(F)(F)F)C(=O)N(C)C)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)C)OC(=O)CCCC2=CC(=C(C=C2)NC(=O)C3=C(N=C(C=C3)C)C4=CC=C(C=C4)C(F)(F)F)C(=O)N(C)C)C(=O)OC

InChI

InChI=1S/C39H38F3N3O8/c1-7-52-37(49)26-19-22(2)34(30(21-26)38(50)51-6)53-32(46)10-8-9-24-12-18-31(29(20-24)36(48)45(4)5)44-35(47)28-17-11-23(3)43-33(28)25-13-15-27(16-14-25)39(40,41)42/h11-21H,7-10H2,1-6H3,(H,44,47)