2-(dioxidanylmethyl)-3,4,5,6,7-pentamethyl-1-(phenylmethyl)indole

Systemtic Name: 2-(dioxidanylmethyl)-3,4,5,6,7-pentamethyl-1-(phenylmethyl)indole Openeye Name: 1-benzyl-2-(hydroperoxymethyl)-3,4,5,6,7-pentamethyl-indole CAS Name: 2-(hydroperoxymethyl)-3,4,5,6,7-pentamethyl-1-(phenylmethyl)indole IUPAC Name: 1-benzyl-2-(hydroperoxymethyl)-3,4,5,6,7-pentamethylindole Traditional Name: 1-benzyl-2-(hydroperoxymethyl)-3,4,5,6,7-pentamethyl-indole Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1C)C(=C(N2CC3=CC=CC=C3)COO)C)C)C

Isomeric SMILES

CC1=C(C(=C2C(=C1C)C(=C(N2CC3=CC=CC=C3)COO)C)C)C

InChI

InChI=1S/C21H25NO2/c1-13-14(2)16(4)21-20(15(13)3)17(5)19(12-24-23)22(21)11-18-9-7-6-8-10-18/h6-10,23H,11-12H2,1-5H3