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

Systemtic Name: 2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-1-(phenylmethyl)-3H-isoindole-1-carboxylic acid Openeye Name: 1-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)isoindoline-1-carboxylic acid CAS Name: 2-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-1-(phenylmethyl)-3H-isoindole-1-carboxylic acid IUPAC Name: 1-benzyl-2-(4-tert-butyl-3-methoxybenzoyl)-3H-isoindole-1-carboxylic acid Traditional Name: 1-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)isoindoline-1-carboxylic acid Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3C2(CC4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3C2(CC4=CC=CC=C4)C(=O)O)OC

InChI

InChI=1S/C28H29NO4/c1-27(2,3)23-15-14-20(16-24(23)33-4)25(30)29-18-21-12-8-9-13-22(21)28(29,26(31)32)17-19-10-6-5-7-11-19/h5-16H,17-18H2,1-4H3,(H,31,32)