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

Systemtic Name: 2-[2-(acetyloxymethyl)-1-[(4-methylphenyl)methyl]-5-phenylmethoxy-indol-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-(acetoxymethyl)-5-benzyloxy-1-(p-tolylmethyl)indol-3-yl]-2-oxo-acetic acid CAS Name: 2-[2-(acetyloxymethyl)-1-[(4-methylphenyl)methyl]-5-phenylmethoxy-3-indolyl]-2-oxoacetic acid IUPAC Name: 2-[2-(acetyloxymethyl)-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetic acid Traditional Name: 2-[2-(acetoxymethyl)-5-benzoxy-1-(4-methylbenzyl)indol-3-yl]-2-keto-acetic acid Formula: C28H25NO6 MolecularWeight: 471.5012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C(=C2COC(=O)C)C(=O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C(=C2COC(=O)C)C(=O)C(=O)O

InChI

InChI=1S/C28H25NO6/c1-18-8-10-20(11-9-18)15-29-24-13-12-22(35-16-21-6-4-3-5-7-21)14-23(24)26(27(31)28(32)33)25(29)17-34-19(2)30/h3-14H,15-17H2,1-2H3,(H,32,33)