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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(C(NC(C)(C)C)OC(=O)C2=CC=CC=C2)O)C3=C4C=CNC4=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(C(NC(C)(C)C)OC(=O)C2=CC=CC=C2)O)C3=C4C=CNC4=CC=C3

InChI

InChI=1S/C29H32N2O4/c1-19-10-8-15-25(26(19)22-13-9-14-23-21(22)16-17-30-23)34-18-24(32)27(31-29(2,3)4)35-28(33)20-11-6-5-7-12-20/h5-17,24,27,30-32H,18H2,1-4H3