(4-bromophenyl)methyl 2-tert-butyl-7-methyl-indole-1-carboxylate

Systemtic Name: (4-bromophenyl)methyl 2-tert-butyl-7-methyl-indole-1-carboxylate Openeye Name: (4-bromophenyl)methyl 2-tert-butyl-7-methyl-indole-1-carboxylate CAS Name: 2-tert-butyl-7-methyl-1-indolecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-tert-butyl-7-methylindole-1-carboxylate Traditional Name: 2-tert-butyl-7-methyl-indole-1-carboxylic acid (4-bromobenzyl) ester Formula: C21H22BrNO2 MolecularWeight: 400.30888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=C2)C(C)(C)C)C(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC2=C1N(C(=C2)C(C)(C)C)C(=O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrNO2/c1-14-6-5-7-16-12-18(21(2,3)4)23(19(14)16)20(24)25-13-15-8-10-17(22)11-9-15/h5-12H,13H2,1-4H3