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

Systemtic Name: 2-[1-[(4-tert-butylphenyl)methyl]-5-(2-methylphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-[(4-tert-butylphenyl)methyl]-5-(o-tolyl)indol-3-yl]-2-oxo-acetic acid CAS Name: 2-[1-[(4-tert-butylphenyl)methyl]-5-(2-methylphenyl)-3-indolyl]-2-oxoacetic acid IUPAC Name: 2-[1-[(4-tert-butylphenyl)methyl]-5-(2-methylphenyl)indol-3-yl]-2-oxoacetic acid Traditional Name: 2-[1-(4-tert-butylbenzyl)-5-(o-tolyl)indol-3-yl]-2-keto-acetic acid Formula: C28H27NO3 MolecularWeight: 425.51888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C=C2)N(C=C3C(=O)C(=O)O)CC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C=C2)N(C=C3C(=O)C(=O)O)CC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H27NO3/c1-18-7-5-6-8-22(18)20-11-14-25-23(15-20)24(26(30)27(31)32)17-29(25)16-19-9-12-21(13-10-19)28(2,3)4/h5-15,17H,16H2,1-4H3,(H,31,32)