2-[2-(acetyloxymethyl)-1-[(4-tert-butylphenyl)methyl]-5-methoxy-indol-3-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-(acetyloxymethyl)-1-[(4-tert-butylphenyl)methyl]-5-methoxy-indol-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-(acetoxymethyl)-1-[(4-tert-butylphenyl)methyl]-5-methoxy-indol-3-yl]-2-oxo-acetic acid CAS Name: 2-[2-(acetyloxymethyl)-1-[(4-tert-butylphenyl)methyl]-5-methoxy-3-indolyl]-2-oxoacetic acid IUPAC Name: 2-[2-(acetyloxymethyl)-1-[(4-tert-butylphenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetic acid Traditional Name: 2-[2-(acetoxymethyl)-1-(4-tert-butylbenzyl)-5-methoxy-indol-3-yl]-2-keto-acetic acid Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C2=C(N1CC3=CC=C(C=C3)C(C)(C)C)C=CC(=C2)OC)C(=O)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(C2=C(N1CC3=CC=C(C=C3)C(C)(C)C)C=CC(=C2)OC)C(=O)C(=O)O

InChI

InChI=1S/C25H27NO6/c1-15(27)32-14-21-22(23(28)24(29)30)19-12-18(31-5)10-11-20(19)26(21)13-16-6-8-17(9-7-16)25(2,3)4/h6-12H,13-14H2,1-5H3,(H,29,30)