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

Systemtic Name: 2-[5-(4-tert-butylphenyl)-1-(phenylmethyl)indol-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-benzyl-5-(4-tert-butylphenyl)indol-3-yl]-2-oxo-acetic acid CAS Name: 2-[5-(4-tert-butylphenyl)-1-(phenylmethyl)-3-indolyl]-2-oxoacetic acid IUPAC Name: 2-[1-benzyl-5-(4-tert-butylphenyl)indol-3-yl]-2-oxoacetic acid Traditional Name: 2-[1-benzyl-5-(4-tert-butylphenyl)indol-3-yl]-2-keto-acetic acid Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C=C3C(=O)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C=C3C(=O)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C27H25NO3/c1-27(2,3)21-12-9-19(10-13-21)20-11-14-24-22(15-20)23(25(29)26(30)31)17-28(24)16-18-7-5-4-6-8-18/h4-15,17H,16H2,1-3H3,(H,30,31)