(4-bromophenyl)methyl 2-tert-butyl-5-methoxy-indole-1-carboxylate

Systemtic Name: (4-bromophenyl)methyl 2-tert-butyl-5-methoxy-indole-1-carboxylate Openeye Name: (4-bromophenyl)methyl 2-tert-butyl-5-methoxy-indole-1-carboxylate CAS Name: 2-tert-butyl-5-methoxy-1-indolecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-tert-butyl-5-methoxyindole-1-carboxylate Traditional Name: 2-tert-butyl-5-methoxy-indole-1-carboxylic acid (4-bromobenzyl) ester Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(N1C(=O)OCC3=CC=C(C=C3)Br)C=CC(=C2)OC

Isomeric SMILES

CC(C)(C)C1=CC2=C(N1C(=O)OCC3=CC=C(C=C3)Br)C=CC(=C2)OC

InChI

InChI=1S/C21H22BrNO3/c1-21(2,3)19-12-15-11-17(25-4)9-10-18(15)23(19)20(24)26-13-14-5-7-16(22)8-6-14/h5-12H,13H2,1-4H3