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

Systemtic Name: N-(1H-indol-4-yl)-2-[3-(2-methylbutan-2-ylamino)-2-oxidanyl-propoxy]benzamide benzoate Openeye Name: 2-[3-(1,1-dimethylpropylamino)-2-hydroxy-propoxy]-N-(1H-indol-4-yl)benzamide benzoate CAS Name: 2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]-N-(1H-indol-4-yl)benzamide benzoate IUPAC Name: 2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]-N-(1H-indol-4-yl)benzamide benzoate Traditional Name: 2-[3-(tert-amylamino)-2-hydroxy-propoxy]-N-(1H-indol-4-yl)benzamide benzoate Formula: C30H34N3O5- MolecularWeight: 516.60806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(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/C23H29N3O3.C7H6O2/c1-4-23(2,3)25-14-16(27)15-29-21-11-6-5-8-18(21)22(28)26-20-10-7-9-19-17(20)12-13-24-19;8-7(9)6-4-2-1-3-5-6/h5-13,16,24-25,27H,4,14-15H2,1-3H3,(H,26,28);1-5H,(H,8,9)/p-1