benzoic acid; 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol

Systemtic Name: benzoic acid; 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol Openeye Name: benzoic acid; 1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol CAS Name: benzoic acid; 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)-2-propanol IUPAC Name: benzoic acid; 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol Traditional Name: benzoic acid; 1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol Formula: C21H26N2O4 MolecularWeight: 370.44214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC2=C1C=CN2)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)NCC(COC1=CC=CC2=C1C=CN2)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C14H20N2O2.C7H6O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13;8-7(9)6-4-2-1-3-5-6/h3-7,10-11,15-17H,8-9H2,1-2H3;1-5H,(H,8,9)