2-[5-chloranyl-2-methyl-3-[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-2-methyl-3-[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-(1-benzyl-6-oxo-pyridazin-3-yl)-5-chloro-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[5-chloro-2-methyl-3-[6-oxo-1-(phenylmethyl)-3-pyridazinyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-(1-benzyl-6-oxopyridazin-3-yl)-5-chloro-2-methylindol-1-yl]acetic acid Traditional Name: 2-[3-(1-benzyl-6-keto-pyridazin-3-yl)-5-chloro-2-methyl-indol-1-yl]acetic acid Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)Cl)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)Cl)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3O3/c1-14-22(17-11-16(23)7-9-19(17)25(14)13-21(28)29)18-8-10-20(27)26(24-18)12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,28,29)