[3,5-bis(trifluoromethyl)phenyl]methyl 2-azanyl-3-(2H-indazol-3-yl)propanoate

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-azanyl-3-(2H-indazol-3-yl)propanoate Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-amino-3-(2H-indazol-3-yl)propanoate CAS Name: 2-amino-3-(2H-indazol-3-yl)propanoic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-amino-3-(2H-indazol-3-yl)propanoate Traditional Name: 2-amino-3-(2H-indazol-3-yl)propionic acid [3,5-bis(trifluoromethyl)benzyl] ester Formula: C19H15F6N3O2 MolecularWeight: 431.331719

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NN=C2C=C1)CC(C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N

Isomeric SMILES

C1=CC2=C(NN=C2C=C1)CC(C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N

InChI

InChI=1S/C19H15F6N3O2/c20-18(21,22)11-5-10(6-12(7-11)19(23,24)25)9-30-17(29)14(26)8-16-13-3-1-2-4-15(13)27-28-16/h1-7,14H,8-9,26H2,(H,27,28)