4-[5-chloranyl-4-[2-(4-methoxyphenoxy)ethyl-methyl-amino]-6-oxidanylidene-pyridazin-1-yl]benzoic acid

Systemtic Name: 4-[5-chloranyl-4-[2-(4-methoxyphenoxy)ethyl-methyl-amino]-6-oxidanylidene-pyridazin-1-yl]benzoic acid Openeye Name: 4-[5-chloro-4-[2-(4-methoxyphenoxy)ethyl-methyl-amino]-6-oxo-pyridazin-1-yl]benzoic acid CAS Name: 4-[5-chloro-4-[2-(4-methoxyphenoxy)ethyl-methylamino]-6-oxo-1-pyridazinyl]benzoic acid IUPAC Name: 4-[5-chloro-4-[2-(4-methoxyphenoxy)ethyl-methylamino]-6-oxopyridazin-1-yl]benzoic acid Traditional Name: 4-[5-chloro-6-keto-4-[2-(4-methoxyphenoxy)ethyl-methyl-amino]pyridazin-1-yl]benzoic acid Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)OC)C2=C(C(=O)N(N=C2)C3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)OC)C2=C(C(=O)N(N=C2)C3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C21H20ClN3O5/c1-24(11-12-30-17-9-7-16(29-2)8-10-17)18-13-23-25(20(26)19(18)22)15-5-3-14(4-6-15)21(27)28/h3-10,13H,11-12H2,1-2H3,(H,27,28)