[1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate; propanedioic acid

Systemtic Name: [1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate; propanedioic acid Openeye Name: [1-[(tert-butylamino)methyl]-2-[(2-methyl-1H-indol-4-yl)oxy]ethyl] benzoate; malonic acid CAS Name: benzoic acid [1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] ester; propanedioic acid IUPAC Name: [1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate; propanedioic acid Traditional Name: benzoic acid [1-[(tert-butylamino)methyl]-2-[(2-methyl-1H-indol-4-yl)oxy]ethyl] ester; malonic acid Formula: C26H32N2O7 MolecularWeight: 484.54148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3.C(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3.C(C(=O)O)C(=O)O

InChI

InChI=1S/C23H28N2O3.C3H4O4/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17;4-2(5)1-3(6)7/h5-13,18,24-25H,14-15H2,1-4H3;1H2,(H,4,5)(H,6,7)