5-[1-[3-(3-carbamimidoylphenyl)-2-oxidanylidene-quinolin-1-yl]pentyl]piperidine-3-carboxylic acid

Systemtic Name: 5-[1-[3-(3-carbamimidoylphenyl)-2-oxidanylidene-quinolin-1-yl]pentyl]piperidine-3-carboxylic acid Openeye Name: 5-[1-[3-(3-carbamimidoylphenyl)-2-oxo-1-quinolyl]pentyl]piperidine-3-carboxylic acid CAS Name: 5-[1-[3-(3-carbamimidoylphenyl)-2-oxo-1-quinolinyl]pentyl]-3-piperidinecarboxylic acid IUPAC Name: 5-[1-[3-(3-carbamimidoylphenyl)-2-oxoquinolin-1-yl]pentyl]piperidine-3-carboxylic acid Traditional Name: 5-[1-[3-(3-amidinophenyl)-2-keto-1-quinolyl]pentyl]nipecotic acid Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1CC(CNC1)C(=O)O)N2C3=CC=CC=C3C=C(C2=O)C4=CC(=CC=C4)C(=N)N

Isomeric SMILES

CCCCC(C1CC(CNC1)C(=O)O)N2C3=CC=CC=C3C=C(C2=O)C4=CC(=CC=C4)C(=N)N

InChI

InChI=1S/C27H32N4O3/c1-2-3-10-24(20-13-21(27(33)34)16-30-15-20)31-23-11-5-4-7-18(23)14-22(26(31)32)17-8-6-9-19(12-17)25(28)29/h4-9,11-12,14,20-21,24,30H,2-3,10,13,15-16H2,1H3,(H3,28,29)(H,33,34)