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

Systemtic Name: 4-[3-[(5-chloranyl-1-ethyl-6-oxidanylidene-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoic acid Openeye Name: 4-[3-[(5-chloro-1-ethyl-6-oxo-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoic acid CAS Name: 4-[3-[(5-chloro-1-ethyl-6-oxo-4-pyridazinyl)amino]propoxy]-3-propylbenzoic acid IUPAC Name: 4-[3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propoxy]-3-propylbenzoic acid Traditional Name: 4-[3-[(5-chloro-1-ethyl-6-keto-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoic acid Formula: C19H24ClN3O4 MolecularWeight: 393.86456

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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)CC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O4/c1-3-6-13-11-14(19(25)26)7-8-16(13)27-10-5-9-21-15-12-22-23(4-2)18(24)17(15)20/h7-8,11-12,21H,3-6,9-10H2,1-2H3,(H,25,26)