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

Systemtic Name: ethanedioic acid; N-(1H-indol-4-yl)-2-[3-(2-methylbutan-2-ylamino)-2-oxidanyl-propoxy]benzamide Openeye Name: 2-[3-(1,1-dimethylpropylamino)-2-hydroxy-propoxy]-N-(1H-indol-4-yl)benzamide; oxalic acid CAS Name: 2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]-N-(1H-indol-4-yl)benzamide; oxalic acid IUPAC Name: 2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]-N-(1H-indol-4-yl)benzamide; oxalic acid Traditional Name: 2-[3-(tert-amylamino)-2-hydroxy-propoxy]-N-(1H-indol-4-yl)benzamide; oxalic acid Formula: C25H31N3O7 MolecularWeight: 485.52954

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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.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)(C)NCC(COC1=CC=CC=C1C(=O)NC2=CC=CC3=C2C=CN3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H29N3O3.C2H2O4/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;3-1(4)2(5)6/h5-13,16,24-25,27H,4,14-15H2,1-3H3,(H,26,28);(H,3,4)(H,5,6)