tert-butyl 4-bromanyl-2-[(4-ethanoylphenyl)methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 4-bromanyl-2-[(4-ethanoylphenyl)methyl]indole-1-carboxylate Openeye Name: tert-butyl 2-[(4-acetylphenyl)methyl]-4-bromo-indole-1-carboxylate CAS Name: 2-[(4-acetylphenyl)methyl]-4-bromo-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-acetylphenyl)methyl]-4-bromoindole-1-carboxylate Traditional Name: 2-(4-acetylbenzyl)-4-bromo-indole-1-carboxylic acid tert-butyl ester Formula: C22H22BrNO3 MolecularWeight: 428.31898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)CC2=CC3=C(N2C(=O)OC(C)(C)C)C=CC=C3Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)CC2=CC3=C(N2C(=O)OC(C)(C)C)C=CC=C3Br

InChI

InChI=1S/C22H22BrNO3/c1-14(25)16-10-8-15(9-11-16)12-17-13-18-19(23)6-5-7-20(18)24(17)21(26)27-22(2,3)4/h5-11,13H,12H2,1-4H3