benzoic acid; 1-(tert-butylamino)-3-[2-(1H-indol-4-ylmethyl)phenoxy]propan-2-ol

Systemtic Name: benzoic acid; 1-(tert-butylamino)-3-[2-(1H-indol-4-ylmethyl)phenoxy]propan-2-ol Openeye Name: benzoic acid; 1-(tert-butylamino)-3-[2-(1H-indol-4-ylmethyl)phenoxy]propan-2-ol CAS Name: benzoic acid; 1-(tert-butylamino)-3-[2-(1H-indol-4-ylmethyl)phenoxy]-2-propanol IUPAC Name: benzoic acid; 1-(tert-butylamino)-3-[2-(1H-indol-4-ylmethyl)phenoxy]propan-2-ol Traditional Name: benzoic acid; 1-(tert-butylamino)-3-[2-(1H-indol-4-ylmethyl)phenoxy]propan-2-ol Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC=C1CC2=C3C=CNC3=CC=C2)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC=C1CC2=C3C=CNC3=CC=C2)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C22H28N2O2.C7H6O2/c1-22(2,3)24-14-18(25)15-26-21-10-5-4-7-17(21)13-16-8-6-9-20-19(16)11-12-23-20;8-7(9)6-4-2-1-3-5-6/h4-12,18,23-25H,13-15H2,1-3H3;1-5H,(H,8,9)