(E)-5-[2-azanyl-4-(trifluoromethyl)phenyl]-6-[methyl-(1-phenyl-2-pyrrolidin-1-yl-ethyl)amino]-4,6-bis(oxidanylidene)hex-2-enoic acid hydrochloride

Systemtic Name: (E)-5-[2-azanyl-4-(trifluoromethyl)phenyl]-6-[methyl-(1-phenyl-2-pyrrolidin-1-yl-ethyl)amino]-4,6-bis(oxidanylidene)hex-2-enoic acid hydrochloride Openeye Name: (E)-5-[2-amino-4-(trifluoromethyl)phenyl]-6-[methyl-(1-phenyl-2-pyrrolidin-1-yl-ethyl)amino]-4,6-dioxo-hex-2-enoic acid hydrochloride CAS Name: (E)-5-[2-amino-4-(trifluoromethyl)phenyl]-6-[methyl-[1-phenyl-2-(1-pyrrolidinyl)ethyl]amino]-4,6-dioxo-2-hexenoic acid hydrochloride IUPAC Name: (E)-5-[2-amino-4-(trifluoromethyl)phenyl]-6-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-4,6-dioxohex-2-enoic acid hydrochloride Traditional Name: (E)-5-[2-amino-4-(trifluoromethyl)phenyl]-4,6-diketo-6-[methyl-(1-phenyl-2-pyrrolidino-ethyl)amino]hex-2-enoic acid hydrochloride Formula: C26H29ClF3N3O4 MolecularWeight: 539.97437

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CN1CCCC1)C2=CC=CC=C2)C(=O)C(C3=C(C=C(C=C3)C(F)(F)F)N)C(=O)C=CC(=O)O.Cl

Isomeric SMILES

CN(C(CN1CCCC1)C2=CC=CC=C2)C(=O)C(C3=C(C=C(C=C3)C(F)(F)F)N)C(=O)/C=C/C(=O)O.Cl

InChI

InChI=1S/C26H28F3N3O4.ClH/c1-31(21(16-32-13-5-6-14-32)17-7-3-2-4-8-17)25(36)24(22(33)11-12-23(34)35)19-10-9-18(15-20(19)30)26(27,28)29;/h2-4,7-12,15,21,24H,5-6,13-14,16,30H2,1H3,(H,34,35);1H/b12-11+;