1-[5-[4,4-bis(oxidanyl)butoxy]-2-bromanyl-1-(phenylmethyl)indol-3-yl]propan-2-one

Systemtic Name: 1-[5-[4,4-bis(oxidanyl)butoxy]-2-bromanyl-1-(phenylmethyl)indol-3-yl]propan-2-one Openeye Name: 1-[1-benzyl-2-bromo-5-(4,4-dihydroxybutoxy)indol-3-yl]propan-2-one CAS Name: 1-[2-bromo-5-(4,4-dihydroxybutoxy)-1-(phenylmethyl)-3-indolyl]-2-propanone IUPAC Name: 1-[1-benzyl-2-bromo-5-(4,4-dihydroxybutoxy)indol-3-yl]propan-2-one Traditional Name: 1-[1-benzyl-2-bromo-5-(4,4-dihydroxybutoxy)indol-3-yl]acetone Formula: C22H24BrNO4 MolecularWeight: 446.33426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(N(C2=C1C=C(C=C2)OCCCC(O)O)CC3=CC=CC=C3)Br

Isomeric SMILES

CC(=O)CC1=C(N(C2=C1C=C(C=C2)OCCCC(O)O)CC3=CC=CC=C3)Br

InChI

InChI=1S/C22H24BrNO4/c1-15(25)12-19-18-13-17(28-11-5-8-21(26)27)9-10-20(18)24(22(19)23)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,21,26-27H,5,8,11-12,14H2,1H3