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

Systemtic Name: 3-butyl-4-[3-[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]propoxy]benzoic acid Openeye Name: 3-butyl-4-[3-[(5-chloro-1-isopropyl-6-oxo-pyridazin-4-yl)amino]propoxy]benzoic acid CAS Name: 3-butyl-4-[3-[(5-chloro-6-oxo-1-propan-2-yl-4-pyridazinyl)amino]propoxy]benzoic acid IUPAC Name: 3-butyl-4-[3-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]propoxy]benzoic acid Traditional Name: 3-butyl-4-[3-[(5-chloro-1-isopropyl-6-keto-pyridazin-4-yl)amino]propoxy]benzoic acid Formula: C21H28ClN3O4 MolecularWeight: 421.91772

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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)C(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O4/c1-4-5-7-15-12-16(21(27)28)8-9-18(15)29-11-6-10-23-17-13-24-25(14(2)3)20(26)19(17)22/h8-9,12-14,23H,4-7,10-11H2,1-3H3,(H,27,28)