2-[5-chloranyl-2-methyl-3-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-2-methyl-3-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-(3-benzyl-4-oxo-phthalazin-1-yl)-5-chloro-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[5-chloro-2-methyl-3-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-(3-benzyl-4-oxophthalazin-1-yl)-5-chloro-2-methylindol-1-yl]acetic acid Traditional Name: 2-[3-(3-benzyl-4-keto-phthalazin-1-yl)-5-chloro-2-methyl-indol-1-yl]acetic acid Formula: C26H20ClN3O3 MolecularWeight: 457.9083

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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)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)Cl)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H20ClN3O3/c1-16-24(21-13-18(27)11-12-22(21)29(16)15-23(31)32)25-19-9-5-6-10-20(19)26(33)30(28-25)14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,31,32)