1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-3H-indole-2,4-dicarboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-3H-indole-2,4-dicarboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-indoline-2,4-dicarboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(2-methylpropyl)-3H-indole-2,4-dicarboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-2-(2-methylpropyl)-3H-indole-2,4-dicarboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-indoline-2,4-dicarboxylic acid Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC2=C(C=CC=C2N1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1(CC2=C(C=CC=C2N1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)C(=O)O)C(=O)O

InChI

InChI=1S/C26H31NO6/c1-15(2)13-26(24(31)32)14-18-17(23(29)30)8-7-9-20(18)27(26)22(28)16-10-11-19(25(3,4)5)21(12-16)33-6/h7-12,15H,13-14H2,1-6H3,(H,29,30)(H,31,32)