2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-N-(1H-indol-4-yl)benzamide benzoate

Systemtic Name: 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-N-(1H-indol-4-yl)benzamide benzoate Openeye Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-N-(1H-indol-4-yl)benzamide benzoate CAS Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-(1H-indol-4-yl)benzamide benzoate IUPAC Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-(1H-indol-4-yl)benzamide benzoate Traditional Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-N-(1H-indol-4-yl)benzamide benzoate Formula: C29H32N3O5- MolecularWeight: 502.58148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC=C1C(=O)NC2=CC=CC3=C2C=CN3)O.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC=C1C(=O)NC2=CC=CC3=C2C=CN3)O.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C22H27N3O3.C7H6O2/c1-22(2,3)24-13-15(26)14-28-20-10-5-4-7-17(20)21(27)25-19-9-6-8-18-16(19)11-12-23-18;8-7(9)6-4-2-1-3-5-6/h4-12,15,23-24,26H,13-14H2,1-3H3,(H,25,27);1-5H,(H,8,9)/p-1