ethyl (3S,4R)-1-azanyl-4-(benzotriazol-1-yl)-3-(trifluoromethyl)-3,4-dihydronaphthalene-2-carboxylate

Systemtic Name: ethyl (3S,4R)-1-azanyl-4-(benzotriazol-1-yl)-3-(trifluoromethyl)-3,4-dihydronaphthalene-2-carboxylate Openeye Name: ethyl (3S,4R)-1-amino-4-(benzotriazol-1-yl)-3-(trifluoromethyl)-3,4-dihydronaphthalene-2-carboxylate CAS Name: (3S,4R)-1-amino-4-(1-benzotriazolyl)-3-(trifluoromethyl)-3,4-dihydronaphthalene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-1-amino-4-(benzotriazol-1-yl)-3-(trifluoromethyl)-3,4-dihydronaphthalene-2-carboxylate Traditional Name: (3S,4R)-1-amino-4-(benzotriazol-1-yl)-3-(trifluoromethyl)-3,4-dihydronaphthalene-2-carboxylic acid ethyl ester Formula: C20H17F3N4O2 MolecularWeight: 402.36979

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2C(C1C(F)(F)F)N3C4=CC=CC=C4N=N3)N

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2[C@@H]([C@H]1C(F)(F)F)N3C4=CC=CC=C4N=N3)N

InChI

InChI=1S/C20H17F3N4O2/c1-2-29-19(28)15-16(20(21,22)23)18(12-8-4-3-7-11(12)17(15)24)27-14-10-6-5-9-13(14)25-26-27/h3-10,16,18H,2,24H2,1H3/t16-,18-/m0/s1