methyl 4-[3-[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]-2-oxidanylidene-propoxy]-3-propyl-benzoate

Systemtic Name: methyl 4-[3-[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]-2-oxidanylidene-propoxy]-3-propyl-benzoate Openeye Name: methyl 4-[3-[(5-chloro-1-isopropyl-6-oxo-pyridazin-4-yl)amino]-2-oxo-propoxy]-3-propyl-benzoate CAS Name: 4-[3-[(5-chloro-6-oxo-1-propan-2-yl-4-pyridazinyl)amino]-2-oxopropoxy]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-oxopropoxy]-3-propylbenzoate Traditional Name: 4-[3-[(5-chloro-1-isopropyl-6-keto-pyridazin-4-yl)amino]-2-keto-propoxy]-3-propyl-benzoic acid methyl ester Formula: C21H26ClN3O5 MolecularWeight: 435.90124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)OC)OCC(=O)CNC2=C(C(=O)N(N=C2)C(C)C)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)OC)OCC(=O)CNC2=C(C(=O)N(N=C2)C(C)C)Cl

InChI

InChI=1S/C21H26ClN3O5/c1-5-6-14-9-15(21(28)29-4)7-8-18(14)30-12-16(26)10-23-17-11-24-25(13(2)3)20(27)19(17)22/h7-9,11,13,23H,5-6,10,12H2,1-4H3