2-[5,7-dimethyl-4-oxidanylidene-6-(phenylmethyl)pyrrolo[3,4-d]pyridazin-3-yl]ethanoic acid

Systemtic Name: 2-[5,7-dimethyl-4-oxidanylidene-6-(phenylmethyl)pyrrolo[3,4-d]pyridazin-3-yl]ethanoic acid Openeye Name: 2-(6-benzyl-5,7-dimethyl-4-oxo-pyrrolo[3,4-d]pyridazin-3-yl)acetic acid CAS Name: 2-[5,7-dimethyl-4-oxo-6-(phenylmethyl)-3-pyrrolo[3,4-d]pyridazinyl]acetic acid IUPAC Name: 2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)acetic acid Traditional Name: 2-(6-benzyl-4-keto-5,7-dimethyl-pyrrolo[3,4-d]pyridazin-3-yl)acetic acid Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=CC=C3)C)CC(=O)O

Isomeric SMILES

CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=CC=C3)C)CC(=O)O

InChI

InChI=1S/C17H17N3O3/c1-11-14-8-18-20(10-15(21)22)17(23)16(14)12(2)19(11)9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,21,22)