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

Systemtic Name: 2-[1-[(4-tert-butylphenyl)methyl]-5-(3-methylphenyl)indol-3-yl]ethanoic acid Openeye Name: 2-[1-[(4-tert-butylphenyl)methyl]-5-(m-tolyl)indol-3-yl]acetic acid CAS Name: 2-[1-[(4-tert-butylphenyl)methyl]-5-(3-methylphenyl)-3-indolyl]acetic acid IUPAC Name: 2-[1-[(4-tert-butylphenyl)methyl]-5-(3-methylphenyl)indol-3-yl]acetic acid Traditional Name: 2-[1-(4-tert-butylbenzyl)-5-(m-tolyl)indol-3-yl]acetic acid Formula: C28H29NO2 MolecularWeight: 411.53536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC3=C(C=C2)N(C=C3CC(=O)O)CC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC3=C(C=C2)N(C=C3CC(=O)O)CC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H29NO2/c1-19-6-5-7-21(14-19)22-10-13-26-25(15-22)23(16-27(30)31)18-29(26)17-20-8-11-24(12-9-20)28(2,3)4/h5-15,18H,16-17H2,1-4H3,(H,30,31)