(E)-but-2-enedioic acid; [(1S)-2-methyl-1-phenyl-propyl] N-[(2R)-3-[2,3-bis(fluoranyl)phenyl]-2-methyl-1-(2-morpholin-4-ylethylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (E)-but-2-enedioic acid; [(1S)-2-methyl-1-phenyl-propyl] N-[(2R)-3-[2,3-bis(fluoranyl)phenyl]-2-methyl-1-(2-morpholin-4-ylethylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: fumaric acid; [(1S)-2-methyl-1-phenyl-propyl] N-[(1R)-1-[(2,3-difluorophenyl)methyl]-1-methyl-2-(2-morpholinoethylamino)-2-oxo-ethyl]carbamate CAS Name: (E)-2-butenedioic acid; N-[(2R)-3-(2,3-difluorophenyl)-2-methyl-1-[2-(4-morpholinyl)ethylamino]-1-oxopropan-2-yl]carbamic acid [(1S)-2-methyl-1-phenylpropyl] ester IUPAC Name: (E)-but-2-enedioic acid; [(1S)-2-methyl-1-phenylpropyl] N-[(2R)-3-(2,3-difluorophenyl)-2-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1R)-1-(2,3-difluorobenzyl)-2-keto-1-methyl-2-(2-morpholinoethylamino)ethyl]carbamic acid [(1S)-2-methyl-1-phenyl-propyl] ester; fumaric acid Formula: C31H39F2N3O8 MolecularWeight: 619.653466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)OC(=O)NC(C)(CC2=C(C(=CC=C2)F)F)C(=O)NCCN3CCOCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)[C@@H](C1=CC=CC=C1)OC(=O)N[C@](C)(CC2=C(C(=CC=C2)F)F)C(=O)NCCN3CCOCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C27H35F2N3O4.C4H4O4/c1-19(2)24(20-8-5-4-6-9-20)36-26(34)31-27(3,18-21-10-7-11-22(28)23(21)29)25(33)30-12-13-32-14-16-35-17-15-32;5-3(6)1-2-4(7)8/h4-11,19,24H,12-18H2,1-3H3,(H,30,33)(H,31,34);1-2H,(H,5,6)(H,7,8)/b;2-1+/t24-,27+;/m0./s1