butyl 4-[4-(4-azanylimidazo[4,5-c]quinolin-1-yl)butylcarbamoylamino]benzoate

Systemtic Name: butyl 4-[4-(4-azanylimidazo[4,5-c]quinolin-1-yl)butylcarbamoylamino]benzoate Openeye Name: butyl 4-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butylcarbamoylamino]benzoate CAS Name: 4-[[[4-(4-amino-1-imidazo[4,5-c]quinolinyl)butylamino]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butylcarbamoylamino]benzoate Traditional Name: 4-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butylcarbamoylamino]benzoic acid butyl ester Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O3/c1-2-3-16-35-25(33)18-10-12-19(13-11-18)30-26(34)28-14-6-7-15-32-17-29-22-23(32)20-8-4-5-9-21(20)31-24(22)27/h4-5,8-13,17H,2-3,6-7,14-16H2,1H3,(H2,27,31)(H2,28,30,34)