methyl 6-[4-(4-azanylimidazo[4,5-c]quinolin-1-yl)butylamino]-6-oxidanylidene-hexanoate

Systemtic Name: methyl 6-[4-(4-azanylimidazo[4,5-c]quinolin-1-yl)butylamino]-6-oxidanylidene-hexanoate Openeye Name: methyl 6-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butylamino]-6-oxo-hexanoate CAS Name: 6-[4-(4-amino-1-imidazo[4,5-c]quinolinyl)butylamino]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butylamino]-6-oxohexanoate Traditional Name: 6-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butylamino]-6-keto-hexanoic acid methyl ester Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(=O)NCCCCN1C=NC2=C1C3=CC=CC=C3N=C2N

Isomeric SMILES

COC(=O)CCCCC(=O)NCCCCN1C=NC2=C1C3=CC=CC=C3N=C2N

InChI

InChI=1S/C21H27N5O3/c1-29-18(28)11-5-4-10-17(27)23-12-6-7-13-26-14-24-19-20(26)15-8-2-3-9-16(15)25-21(19)22/h2-3,8-9,14H,4-7,10-13H2,1H3,(H2,22,25)(H,23,27)