6-[4-(4-aminocarbonylphenyl)-7-ethyl-2-methyl-pyrrolo[1,2-b]pyridazin-3-yl]hexanoic acid

Systemtic Name: 6-[4-(4-aminocarbonylphenyl)-7-ethyl-2-methyl-pyrrolo[1,2-b]pyridazin-3-yl]hexanoic acid Openeye Name: 6-[4-(4-carbamoylphenyl)-7-ethyl-2-methyl-pyrrolo[1,2-b]pyridazin-3-yl]hexanoic acid CAS Name: 6-[4-(4-carbamoylphenyl)-7-ethyl-2-methyl-3-pyrrolo[1,2-b]pyridazinyl]hexanoic acid IUPAC Name: 6-[4-(4-carbamoylphenyl)-7-ethyl-2-methylpyrrolo[1,2-b]pyridazin-3-yl]hexanoic acid Traditional Name: 6-[4-(4-carbamoylphenyl)-7-ethyl-2-methyl-pyrrolo[1,2-b]pyridazin-3-yl]hexanoic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C2N1N=C(C(=C2C3=CC=C(C=C3)C(=O)N)CCCCCC(=O)O)C

Isomeric SMILES

CCC1=CC=C2N1N=C(C(=C2C3=CC=C(C=C3)C(=O)N)CCCCCC(=O)O)C

InChI

InChI=1S/C23H27N3O3/c1-3-18-13-14-20-22(16-9-11-17(12-10-16)23(24)29)19(15(2)25-26(18)20)7-5-4-6-8-21(27)28/h9-14H,3-8H2,1-2H3,(H2,24,29)(H,27,28)