4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(6-oxidanylidene-1H-pyridazin-3-yl)benzoic acid

Systemtic Name: 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(6-oxidanylidene-1H-pyridazin-3-yl)benzoic acid Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-oxo-1H-pyridazin-3-yl)benzoic acid CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(6-oxo-1H-pyridazin-3-yl)benzoic acid IUPAC Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(6-oxo-1H-pyridazin-3-yl)benzoic acid Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-keto-1H-pyridazin-3-yl)benzoic acid Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5/c1-18(2,3)19-9-12(22)10-26-15-6-4-11(17(24)25)8-13(15)14-5-7-16(23)21-20-14/h4-8,12,19,22H,9-10H2,1-3H3,(H,21,23)(H,24,25)