4-[3-[(5-bromanyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoic acid

Systemtic Name: 4-[3-[(5-bromanyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoic acid Openeye Name: 4-[3-[(5-bromo-1-isopropyl-6-oxo-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoic acid CAS Name: 4-[3-[(5-bromo-6-oxo-1-propan-2-yl-4-pyridazinyl)amino]propoxy]-3-propylbenzoic acid IUPAC Name: 4-[3-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]propoxy]-3-propylbenzoic acid Traditional Name: 4-[3-[(5-bromo-1-isopropyl-6-keto-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoic acid Formula: C20H26BrN3O4 MolecularWeight: 452.34214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)O)OCCCNC2=C(C(=O)N(N=C2)C(C)C)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)O)OCCCNC2=C(C(=O)N(N=C2)C(C)C)Br

InChI

InChI=1S/C20H26BrN3O4/c1-4-6-14-11-15(20(26)27)7-8-17(14)28-10-5-9-22-16-12-23-24(13(2)3)19(25)18(16)21/h7-8,11-13,22H,4-6,9-10H2,1-3H3,(H,26,27)