methyl 4-[4-(4-azanylimidazo[4,5-c]quinolin-1-yl)butylcarbamoyl]benzoate

Systemtic Name: methyl 4-[4-(4-azanylimidazo[4,5-c]quinolin-1-yl)butylcarbamoyl]benzoate Openeye Name: methyl 4-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butylcarbamoyl]benzoate CAS Name: 4-[[4-(4-amino-1-imidazo[4,5-c]quinolinyl)butylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butylcarbamoyl]benzoate Traditional Name: 4-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butylcarbamoyl]benzoic acid methyl ester Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCCCN2C=NC3=C2C4=CC=CC=C4N=C3N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCCCN2C=NC3=C2C4=CC=CC=C4N=C3N

InChI

InChI=1S/C23H23N5O3/c1-31-23(30)16-10-8-15(9-11-16)22(29)25-12-4-5-13-28-14-26-19-20(28)17-6-2-3-7-18(17)27-21(19)24/h2-3,6-11,14H,4-5,12-13H2,1H3,(H2,24,27)(H,25,29)