2-[5-tert-butyl-2-methyl-1-(phenylmethyl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-tert-butyl-2-methyl-1-(phenylmethyl)indol-3-yl]ethanoic acid Openeye Name: 2-(1-benzyl-5-tert-butyl-2-methyl-indol-3-yl)acetic acid CAS Name: 2-[5-tert-butyl-2-methyl-1-(phenylmethyl)-3-indolyl]acetic acid IUPAC Name: 2-(1-benzyl-5-tert-butyl-2-methylindol-3-yl)acetic acid Traditional Name: 2-(1-benzyl-5-tert-butyl-2-methyl-indol-3-yl)acetic acid Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(C)(C)C)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(C)(C)C)CC(=O)O

InChI

InChI=1S/C22H25NO2/c1-15-18(13-21(24)25)19-12-17(22(2,3)4)10-11-20(19)23(15)14-16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3,(H,24,25)