[1-(tert-butylamino)-3-[2-(1H-indol-4-ylmethyl)phenoxy]-2-oxidanyl-propyl] benzoate

Systemtic Name: [1-(tert-butylamino)-3-[2-(1H-indol-4-ylmethyl)phenoxy]-2-oxidanyl-propyl] benzoate Openeye Name: [1-(tert-butylamino)-2-hydroxy-3-[2-(1H-indol-4-ylmethyl)phenoxy]propyl] benzoate CAS Name: benzoic acid [1-(tert-butylamino)-2-hydroxy-3-[2-(1H-indol-4-ylmethyl)phenoxy]propyl] ester IUPAC Name: [1-(tert-butylamino)-2-hydroxy-3-[2-(1H-indol-4-ylmethyl)phenoxy]propyl] benzoate Traditional Name: benzoic acid [1-(tert-butylamino)-2-hydroxy-3-[2-(1H-indol-4-ylmethyl)phenoxy]propyl] ester Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(C(COC1=CC=CC=C1CC2=C3C=CNC3=CC=C2)O)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(C(COC1=CC=CC=C1CC2=C3C=CNC3=CC=C2)O)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H32N2O4/c1-29(2,3)31-27(35-28(33)20-10-5-4-6-11-20)25(32)19-34-26-15-8-7-12-22(26)18-21-13-9-14-24-23(21)16-17-30-24/h4-17,25,27,30-32H,18-19H2,1-3H3