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

Systemtic Name: 5-bromanyl-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(phenylmethyl)-3H-indole-2-carboxylic acid Openeye Name: 2-benzyl-5-bromo-1-(4-tert-butyl-3-methoxy-benzoyl)indoline-2-carboxylic acid CAS Name: 5-bromo-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(phenylmethyl)-3H-indole-2-carboxylic acid IUPAC Name: 2-benzyl-5-bromo-1-(4-tert-butyl-3-methoxybenzoyl)-3H-indole-2-carboxylic acid Traditional Name: 2-benzyl-5-bromo-1-(4-tert-butyl-3-methoxy-benzoyl)indoline-2-carboxylic acid Formula: C28H28BrNO4 MolecularWeight: 522.43022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=C(CC2(CC4=CC=CC=C4)C(=O)O)C=C(C=C3)Br)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=C(CC2(CC4=CC=CC=C4)C(=O)O)C=C(C=C3)Br)OC

InChI

InChI=1S/C28H28BrNO4/c1-27(2,3)22-12-10-19(15-24(22)34-4)25(31)30-23-13-11-21(29)14-20(23)17-28(30,26(32)33)16-18-8-6-5-7-9-18/h5-15H,16-17H2,1-4H3,(H,32,33)