2-[(4-bromophenyl)methyl]-3-tert-butyl-5,7-dimethyl-indole-1-carboxylate

Systemtic Name: 2-[(4-bromophenyl)methyl]-3-tert-butyl-5,7-dimethyl-indole-1-carboxylate Openeye Name: 2-[(4-bromophenyl)methyl]-3-tert-butyl-5,7-dimethyl-indole-1-carboxylate CAS Name: 2-[(4-bromophenyl)methyl]-3-tert-butyl-5,7-dimethyl-1-indolecarboxylate IUPAC Name: 2-[(4-bromophenyl)methyl]-3-tert-butyl-5,7-dimethylindole-1-carboxylate Traditional Name: 2-(4-bromobenzyl)-3-tert-butyl-5,7-dimethyl-indole-1-carboxylate Formula: C22H23BrNO2- MolecularWeight: 413.32752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(N2C(=O)[O-])CC3=CC=C(C=C3)Br)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(N2C(=O)[O-])CC3=CC=C(C=C3)Br)C(C)(C)C)C

InChI

InChI=1S/C22H24BrNO2/c1-13-10-14(2)20-17(11-13)19(22(3,4)5)18(24(20)21(25)26)12-15-6-8-16(23)9-7-15/h6-11H,12H2,1-5H3,(H,25,26)/p-1