3-(3-carbamimidoylphenyl)-5-[1-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxidanylidene-1H-quinoline-7-carboxylic acid

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-[1-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxidanylidene-1H-quinoline-7-carboxylic acid Openeye Name: 3-(3-carbamimidoylphenyl)-5-[1-(2,6-dimethyl-1-piperidyl)pentyl]-2-oxo-1H-quinoline-7-carboxylic acid CAS Name: 3-(3-carbamimidoylphenyl)-5-[1-(2,6-dimethyl-1-piperidinyl)pentyl]-2-oxo-1H-quinoline-7-carboxylic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-5-[1-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxo-1H-quinoline-7-carboxylic acid Traditional Name: 3-(3-amidinophenyl)-5-[1-(2,6-dimethylpiperidino)pentyl]-2-keto-1H-quinoline-7-carboxylic acid Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C2C=C(C(=O)NC2=CC(=C1)C(=O)O)C3=CC(=CC=C3)C(=N)N)N4C(CCCC4C)C

Isomeric SMILES

CCCCC(C1=C2C=C(C(=O)NC2=CC(=C1)C(=O)O)C3=CC(=CC=C3)C(=N)N)N4C(CCCC4C)C

InChI

InChI=1S/C29H36N4O3/c1-4-5-12-26(33-17(2)8-6-9-18(33)3)24-14-21(29(35)36)15-25-23(24)16-22(28(34)32-25)19-10-7-11-20(13-19)27(30)31/h7,10-11,13-18,26H,4-6,8-9,12H2,1-3H3,(H3,30,31)(H,32,34)(H,35,36)