4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(6-diazanylpyridazin-3-yl)benzoic acid

Systemtic Name: 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(6-diazanylpyridazin-3-yl)benzoic acid Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-hydrazinopyridazin-3-yl)benzoic acid CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(6-hydrazinyl-3-pyridazinyl)benzoic acid IUPAC Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(6-hydrazinylpyridazin-3-yl)benzoic acid Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-hydrazinopyridazin-3-yl)benzoic acid Formula: C18H25N5O4 MolecularWeight: 375.4222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C=C(C=C1)C(=O)O)C2=NN=C(C=C2)NN)O

Isomeric SMILES

CC(C)(C)NCC(COC1=C(C=C(C=C1)C(=O)O)C2=NN=C(C=C2)NN)O

InChI

InChI=1S/C18H25N5O4/c1-18(2,3)20-9-12(24)10-27-15-6-4-11(17(25)26)8-13(15)14-5-7-16(21-19)23-22-14/h4-8,12,20,24H,9-10,19H2,1-3H3,(H,21,23)(H,25,26)