4-[1-(azepan-2-yl)ethoxy]-2-(4-hydroxyphenyl)-3-methyl-1-(phenylmethyl)indol-5-ol ethanoate

Systemtic Name: 4-[1-(azepan-2-yl)ethoxy]-2-(4-hydroxyphenyl)-3-methyl-1-(phenylmethyl)indol-5-ol ethanoate Openeye Name: 4-[1-(azepan-2-yl)ethoxy]-1-benzyl-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol acetate CAS Name: 4-[1-(2-azepanyl)ethoxy]-2-(4-hydroxyphenyl)-3-methyl-1-(phenylmethyl)-5-indolol acetate IUPAC Name: 4-[1-(azepan-2-yl)ethoxy]-1-benzyl-2-(4-hydroxyphenyl)-3-methylindol-5-ol acetate Traditional Name: 4-[1-(azepan-2-yl)ethoxy]-1-benzyl-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol acetate Formula: C32H37N2O5- MolecularWeight: 529.64658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=C(C=C2)O)OC(C)C3CCCCCN3)CC4=CC=CC=C4)C5=CC=C(C=C5)O.CC(=O)[O-]

Isomeric SMILES

CC1=C(N(C2=C1C(=C(C=C2)O)OC(C)C3CCCCCN3)CC4=CC=CC=C4)C5=CC=C(C=C5)O.CC(=O)[O-]

InChI

InChI=1S/C30H34N2O3.C2H4O2/c1-20-28-26(16-17-27(34)30(28)35-21(2)25-11-7-4-8-18-31-25)32(19-22-9-5-3-6-10-22)29(20)23-12-14-24(33)15-13-23;1-2(3)4/h3,5-6,9-10,12-17,21,25,31,33-34H,4,7-8,11,18-19H2,1-2H3;1H3,(H,3,4)/p-1