tert-butyl 2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)indole-1-carboxylate

Systemtic Name: tert-butyl 2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)indole-1-carboxylate Openeye Name: tert-butyl 2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)indole-1-carboxylate CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)indole-1-carboxylate Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)indole-1-carboxylic acid tert-butyl ester Formula: C23H21F6NO3 MolecularWeight: 473.408159

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CCO

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CCO

InChI

InChI=1S/C23H21F6NO3/c1-21(2,3)33-20(32)30-18-7-5-4-6-16(18)17(8-9-31)19(30)13-10-14(22(24,25)26)12-15(11-13)23(27,28)29/h4-7,10-12,31H,8-9H2,1-3H3