4-[[3-azanyl-7-methoxy-2-(2-methylphenyl)-4-oxidanylidene-1H-pyrazolo[4,3-c]quinolin-9-yl]oxy]butanoic acid

Systemtic Name: 4-[[3-azanyl-7-methoxy-2-(2-methylphenyl)-4-oxidanylidene-1H-pyrazolo[4,3-c]quinolin-9-yl]oxy]butanoic acid Openeye Name: 4-[[3-amino-7-methoxy-2-(o-tolyl)-4-oxo-1H-pyrazolo[4,3-c]quinolin-9-yl]oxy]butanoic acid CAS Name: 4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-1H-pyrazolo[4,3-c]quinolin-9-yl]oxy]butanoic acid IUPAC Name: 4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-1H-pyrazolo[4,3-c]quinolin-9-yl]oxy]butanoic acid Traditional Name: 4-[[3-amino-4-keto-7-methoxy-2-(o-tolyl)-1H-pyrazolo[4,3-c]quinolin-9-yl]oxy]butyric acid Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C3C(=C4C(=CC(=CC4=NC3=O)OC)OCCCC(=O)O)N2)N

Isomeric SMILES

CC1=CC=CC=C1N2C(=C3C(=C4C(=CC(=CC4=NC3=O)OC)OCCCC(=O)O)N2)N

InChI

InChI=1S/C22H22N4O5/c1-12-6-3-4-7-15(12)26-21(23)19-20(25-26)18-14(24-22(19)29)10-13(30-2)11-16(18)31-9-5-8-17(27)28/h3-4,6-7,10-11,25H,5,8-9,23H2,1-2H3,(H,27,28)