5-tert-butyl-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 5-tert-butyl-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid Openeye Name: 5-tert-butyl-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid CAS Name: 5-tert-butyl-1-[(3,4-dichlorophenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 5-tert-butyl-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid Traditional Name: 5-tert-butyl-1-(3,4-dichlorobenzyl)indole-2-carboxylic acid Formula: C20H19Cl2NO2 MolecularWeight: 376.27636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H19Cl2NO2/c1-20(2,3)14-5-7-17-13(9-14)10-18(19(24)25)23(17)11-12-4-6-15(21)16(22)8-12/h4-10H,11H2,1-3H3,(H,24,25)