3-butyl-4-[3-[(5-chloranyl-1-ethyl-6-oxidanylidene-pyridazin-4-yl)amino]propoxy]benzoic acid

Systemtic Name: 3-butyl-4-[3-[(5-chloranyl-1-ethyl-6-oxidanylidene-pyridazin-4-yl)amino]propoxy]benzoic acid Openeye Name: 3-butyl-4-[3-[(5-chloro-1-ethyl-6-oxo-pyridazin-4-yl)amino]propoxy]benzoic acid CAS Name: 3-butyl-4-[3-[(5-chloro-1-ethyl-6-oxo-4-pyridazinyl)amino]propoxy]benzoic acid IUPAC Name: 3-butyl-4-[3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propoxy]benzoic acid Traditional Name: 3-butyl-4-[3-[(5-chloro-1-ethyl-6-keto-pyridazin-4-yl)amino]propoxy]benzoic acid Formula: C20H26ClN3O4 MolecularWeight: 407.89114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C(=O)O)OCCCNC2=C(C(=O)N(N=C2)CC)Cl

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C(=O)O)OCCCNC2=C(C(=O)N(N=C2)CC)Cl

InChI

InChI=1S/C20H26ClN3O4/c1-3-5-7-14-12-15(20(26)27)8-9-17(14)28-11-6-10-22-16-13-23-24(4-2)19(25)18(16)21/h8-9,12-13,22H,3-7,10-11H2,1-2H3,(H,26,27)