4-azanyl-5-chloranyl-2-methoxy-N-[[4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide; (E)-but-2-enedioic acid

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[[4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide; (E)-but-2-enedioic acid Openeye Name: 4-amino-5-chloro-2-methoxy-N-[[4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide; fumaric acid CAS Name: 4-amino-5-chloro-2-methoxy-N-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-morpholinyl]methyl]benzamide; (E)-2-butenedioic acid IUPAC Name: 4-amino-5-chloro-2-methoxy-N-[[4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide; (E)-but-2-enedioic acid Traditional Name: 4-amino-5-chloro-2-methoxy-N-[[4-[3-(trifluoromethyl)benzyl]morpholin-2-yl]methyl]benzamide; fumaric acid Formula: C54H58Cl2F6N6O18 MolecularWeight: 1263.964139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC(=CC=C3)C(F)(F)F)Cl)N.COC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC(=CC=C3)C(F)(F)F)Cl)N.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NCC2OCCN(C2)CC3=CC(=CC=C3)C(F)(F)F)Cl)N.COC1=CC(=C(C=C1C(=O)NCC2OCCN(C2)CC3=CC(=CC=C3)C(F)(F)F)Cl)N.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C21H23ClF3N3O3.3C4H4O4/c2*1-30-19-9-18(26)17(22)8-16(19)20(29)27-10-15-12-28(5-6-31-15)11-13-3-2-4-14(7-13)21(23,24)25;3*5-3(6)1-2-4(7)8/h2*2-4,7-9,15H,5-6,10-12,26H2,1H3,(H,27,29);3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+