[2-oxidanylidene-2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl] 3-azanyl-4-methyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl] 3-azanyl-4-methyl-benzoate Openeye Name: [2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl] 3-amino-4-methyl-benzoate CAS Name: 3-amino-4-methylbenzoic acid [2-oxo-2-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl] 3-amino-4-methylbenzoate Traditional Name: 3-amino-4-methyl-benzoic acid [2-keto-2-[2-pyrrolidino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C21H22F3N3O3 MolecularWeight: 421.41289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)N

InChI

InChI=1S/C21H22F3N3O3/c1-13-4-5-14(10-16(13)25)20(29)30-12-19(28)26-17-11-15(21(22,23)24)6-7-18(17)27-8-2-3-9-27/h4-7,10-11H,2-3,8-9,12,25H2,1H3,(H,26,28)