5-bromanyl-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-3H-indole-2-carboxylic acid

Systemtic Name: 5-bromanyl-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-3H-indole-2-carboxylic acid Openeye Name: 5-bromo-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-indoline-2-carboxylic acid CAS Name: 5-bromo-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(2-methylpropyl)-3H-indole-2-carboxylic acid IUPAC Name: 5-bromo-1-(4-tert-butyl-3-methoxybenzoyl)-2-(2-methylpropyl)-3H-indole-2-carboxylic acid Traditional Name: 5-bromo-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-indoline-2-carboxylic acid Formula: C25H30BrNO4 MolecularWeight: 488.414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC2=C(N1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)C=CC(=C2)Br)C(=O)O

Isomeric SMILES

CC(C)CC1(CC2=C(N1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)C=CC(=C2)Br)C(=O)O

InChI

InChI=1S/C25H30BrNO4/c1-15(2)13-25(23(29)30)14-17-11-18(26)8-10-20(17)27(25)22(28)16-7-9-19(24(3,4)5)21(12-16)31-6/h7-12,15H,13-14H2,1-6H3,(H,29,30)