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

Systemtic Name: 2-[2-(acetyloxymethyl)-1-[(4-tert-butylphenyl)methyl]-5-phenylmethoxy-indol-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-(acetoxymethyl)-5-benzyloxy-1-[(4-tert-butylphenyl)methyl]indol-3-yl]-2-oxo-acetic acid CAS Name: 2-[2-(acetyloxymethyl)-1-[(4-tert-butylphenyl)methyl]-5-phenylmethoxy-3-indolyl]-2-oxoacetic acid IUPAC Name: 2-[2-(acetyloxymethyl)-1-[(4-tert-butylphenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetic acid Traditional Name: 2-[2-(acetoxymethyl)-5-benzoxy-1-(4-tert-butylbenzyl)indol-3-yl]-2-keto-acetic acid Formula: C31H31NO6 MolecularWeight: 513.58094

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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)OCC4=CC=CC=C4)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)OCC4=CC=CC=C4)C(=O)C(=O)O

InChI

InChI=1S/C31H31NO6/c1-20(33)37-19-27-28(29(34)30(35)36)25-16-24(38-18-22-8-6-5-7-9-22)14-15-26(25)32(27)17-21-10-12-23(13-11-21)31(2,3)4/h5-16H,17-19H2,1-4H3,(H,35,36)