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

Systemtic Name: 1-[5-[4,4-bis(oxidanyl)butoxy]-1-(phenylmethyl)indol-3-yl]propan-2-one Openeye Name: 1-[1-benzyl-5-(4,4-dihydroxybutoxy)indol-3-yl]propan-2-one CAS Name: 1-[5-(4,4-dihydroxybutoxy)-1-(phenylmethyl)-3-indolyl]-2-propanone IUPAC Name: 1-[1-benzyl-5-(4,4-dihydroxybutoxy)indol-3-yl]propan-2-one Traditional Name: 1-[1-benzyl-5-(4,4-dihydroxybutoxy)indol-3-yl]acetone Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4/c1-16(24)12-18-15-23(14-17-6-3-2-4-7-17)21-10-9-19(13-20(18)21)27-11-5-8-22(25)26/h2-4,6-7,9-10,13,15,22,25-26H,5,8,11-12,14H2,1H3