potassium 4-[6-(4-ethoxyphenyl)-1,5,7-trimethyl-pyrrolo[3,4-d]pyridazin-4-yl]butanoate

Systemtic Name: potassium 4-[6-(4-ethoxyphenyl)-1,5,7-trimethyl-pyrrolo[3,4-d]pyridazin-4-yl]butanoate Openeye Name: potassium 4-[6-(4-ethoxyphenyl)-1,5,7-trimethyl-pyrrolo[3,4-d]pyridazin-4-yl]butanoate CAS Name: potassium 4-[6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pyrrolo[3,4-d]pyridazinyl]butanoate IUPAC Name: potassium 4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]butanoate Traditional Name: potassium 4-(1,5,7-trimethyl-6-p-phenetyl-pyrrolo[3,4-d]pyridazin-4-yl)butyrate Formula: C21H24KN3O3 MolecularWeight: 405.53186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=C2C)CCCC(=O)[O-])C)C.[K+]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=C2C)CCCC(=O)[O-])C)C.[K+]

InChI

InChI=1S/C21H25N3O3.K/c1-5-27-17-11-9-16(10-12-17)24-14(3)20-13(2)22-23-18(21(20)15(24)4)7-6-8-19(25)26;/h9-12H,5-8H2,1-4H3,(H,25,26);/q;+1/p-1