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

Systemtic Name: 2-[5-(3-tert-butylphenyl)-1-[(4-tert-butylphenyl)methyl]indol-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[5-(3-tert-butylphenyl)-1-[(4-tert-butylphenyl)methyl]indol-3-yl]-2-oxo-acetic acid CAS Name: 2-[5-(3-tert-butylphenyl)-1-[(4-tert-butylphenyl)methyl]-3-indolyl]-2-oxoacetic acid IUPAC Name: 2-[5-(3-tert-butylphenyl)-1-[(4-tert-butylphenyl)methyl]indol-3-yl]-2-oxoacetic acid Traditional Name: 2-[1-(4-tert-butylbenzyl)-5-(3-tert-butylphenyl)indol-3-yl]-2-keto-acetic acid Formula: C31H33NO3 MolecularWeight: 467.59862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC(=CC=C4)C(C)(C)C)C(=O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC(=CC=C4)C(C)(C)C)C(=O)C(=O)O

InChI

InChI=1S/C31H33NO3/c1-30(2,3)23-13-10-20(11-14-23)18-32-19-26(28(33)29(34)35)25-17-22(12-15-27(25)32)21-8-7-9-24(16-21)31(4,5)6/h7-17,19H,18H2,1-6H3,(H,34,35)