benzoic acid; 1-[[3-(hydroxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol

Systemtic Name: benzoic acid; 1-[[3-(hydroxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol Openeye Name: benzoic acid; 1-[[3-(hydroxymethyl)-1H-indol-4-yl]oxy]-3-(isopropylamino)propan-2-ol CAS Name: benzoic acid; 1-[[3-(hydroxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)-2-propanol IUPAC Name: benzoic acid; 1-[[3-(hydroxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol Traditional Name: benzoic acid; 1-(isopropylamino)-3-[(3-methylol-1H-indol-4-yl)oxy]propan-2-ol Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3.C7H6O2/c1-10(2)16-7-12(19)9-20-14-5-3-4-13-15(14)11(8-18)6-17-13;8-7(9)6-4-2-1-3-5-6/h3-6,10,12,16-19H,7-9H2,1-2H3;1-5H,(H,8,9)