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

Systemtic Name: tert-butyl 2-[(4-bromophenyl)methyl]-7-chloranyl-5-methyl-indole-1-carboxylate Openeye Name: tert-butyl 2-[(4-bromophenyl)methyl]-7-chloro-5-methyl-indole-1-carboxylate CAS Name: 2-[(4-bromophenyl)methyl]-7-chloro-5-methyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-bromophenyl)methyl]-7-chloro-5-methylindole-1-carboxylate Traditional Name: 2-(4-bromobenzyl)-7-chloro-5-methyl-indole-1-carboxylic acid tert-butyl ester Formula: C21H21BrClNO2 MolecularWeight: 434.75394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(N2C(=O)OC(C)(C)C)CC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(N2C(=O)OC(C)(C)C)CC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C21H21BrClNO2/c1-13-9-15-12-17(11-14-5-7-16(22)8-6-14)24(19(15)18(23)10-13)20(25)26-21(2,3)4/h5-10,12H,11H2,1-4H3