3-[3-(3-azanyl-4-oxidanylidene-1H-pyrazolo[4,3-c]quinolin-2-yl)-2-methyl-phenoxy]propanoic acid

Systemtic Name: 3-[3-(3-azanyl-4-oxidanylidene-1H-pyrazolo[4,3-c]quinolin-2-yl)-2-methyl-phenoxy]propanoic acid Openeye Name: 3-[3-(3-amino-4-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-2-methyl-phenoxy]propanoic acid CAS Name: 3-[3-(3-amino-4-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-2-methylphenoxy]propanoic acid IUPAC Name: 3-[3-(3-amino-4-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-2-methylphenoxy]propanoic acid Traditional Name: 3-[3-(3-amino-4-keto-1H-pyrazolo[4,3-c]quinolin-2-yl)-2-methyl-phenoxy]propionic acid Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OCCC(=O)O)N2C(=C3C(=C4C=CC=CC4=NC3=O)N2)N

Isomeric SMILES

CC1=C(C=CC=C1OCCC(=O)O)N2C(=C3C(=C4C=CC=CC4=NC3=O)N2)N

InChI

InChI=1S/C20H18N4O4/c1-11-14(7-4-8-15(11)28-10-9-16(25)26)24-19(21)17-18(23-24)12-5-2-3-6-13(12)22-20(17)27/h2-8,23H,9-10,21H2,1H3,(H,25,26)