[2-butyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl 2-azanyl-3-phenyl-propanoate

Systemtic Name: [2-butyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl 2-azanyl-3-phenyl-propanoate Openeye Name: [2-butyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl 2-amino-3-phenyl-propanoate CAS Name: 2-amino-3-phenylpropanoic acid [2-butyl-3-[[2-(trifluoromethyl)phenyl]methyl]-4-imidazolyl]methyl ester IUPAC Name: [2-butyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl 2-amino-3-phenylpropanoate Traditional Name: 2-amino-3-phenyl-propionic acid [2-butyl-3-[2-(trifluoromethyl)benzyl]imidazol-4-yl]methyl ester Formula: C25H28F3N3O2 MolecularWeight: 459.50393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2C(F)(F)F)COC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2C(F)(F)F)COC(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C25H28F3N3O2/c1-2-3-13-23-30-15-20(17-33-24(32)22(29)14-18-9-5-4-6-10-18)31(23)16-19-11-7-8-12-21(19)25(26,27)28/h4-12,15,22H,2-3,13-14,16-17,29H2,1H3