methyl 3-(3-carbamimidoylphenyl)-5-[1-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-7-carboxylate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[1-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-7-carboxylate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[1-(2,6-dimethyl-1-piperidyl)pentyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxylate CAS Name: 3-(3-carbamimidoylphenyl)-5-[1-(2,6-dimethyl-1-piperidinyl)pentyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[1-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxylate Traditional Name: 3-(3-amidinophenyl)-5-[1-(2,6-dimethylpiperidino)pentyl]-2-keto-3,4-dihydro-1H-quinoline-7-carboxylic acid methyl ester Formula: C30H40N4O3 MolecularWeight: 504.6636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C2CC(C(=O)NC2=CC(=C1)C(=O)OC)C3=CC=CC(=C3)C(=N)N)N4C(CCCC4C)C

Isomeric SMILES

CCCCC(C1=C2CC(C(=O)NC2=CC(=C1)C(=O)OC)C3=CC=CC(=C3)C(=N)N)N4C(CCCC4C)C

InChI

InChI=1S/C30H40N4O3/c1-5-6-13-27(34-18(2)9-7-10-19(34)3)25-15-22(30(36)37-4)16-26-24(25)17-23(29(35)33-26)20-11-8-12-21(14-20)28(31)32/h8,11-12,14-16,18-19,23,27H,5-7,9-10,13,17H2,1-4H3,(H3,31,32)(H,33,35)