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

Systemtic Name: 2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-1-(2-methylpropyl)-3H-isoindole-1-carboxylic acid Openeye Name: 2-(4-tert-butyl-3-methoxy-benzoyl)-1-isobutyl-isoindoline-1-carboxylic acid CAS Name: 2-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-1-(2-methylpropyl)-3H-isoindole-1-carboxylic acid IUPAC Name: 2-(4-tert-butyl-3-methoxybenzoyl)-1-(2-methylpropyl)-3H-isoindole-1-carboxylic acid Traditional Name: 2-(4-tert-butyl-3-methoxy-benzoyl)-1-isobutyl-isoindoline-1-carboxylic acid Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C2=CC=CC=C2CN1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)C(=O)O

Isomeric SMILES

CC(C)CC1(C2=CC=CC=C2CN1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)C(=O)O

InChI

InChI=1S/C25H31NO4/c1-16(2)14-25(23(28)29)19-10-8-7-9-18(19)15-26(25)22(27)17-11-12-20(24(3,4)5)21(13-17)30-6/h7-13,16H,14-15H2,1-6H3,(H,28,29)