3-[1-[3-(3-carbamimidoylphenyl)-2-oxidanylidene-quinolin-1-yl]pentyl]piperidine-4-carboxylic acid

Systemtic Name: 3-[1-[3-(3-carbamimidoylphenyl)-2-oxidanylidene-quinolin-1-yl]pentyl]piperidine-4-carboxylic acid Openeye Name: 3-[1-[3-(3-carbamimidoylphenyl)-2-oxo-1-quinolyl]pentyl]piperidine-4-carboxylic acid CAS Name: 3-[1-[3-(3-carbamimidoylphenyl)-2-oxo-1-quinolinyl]pentyl]-4-piperidinecarboxylic acid IUPAC Name: 3-[1-[3-(3-carbamimidoylphenyl)-2-oxoquinolin-1-yl]pentyl]piperidine-4-carboxylic acid Traditional Name: 3-[1-[3-(3-amidinophenyl)-2-keto-1-quinolyl]pentyl]isonipecotic acid Formula: C27H32N4O3 MolecularWeight: 460.56798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1CNCCC1C(=O)O)N2C3=CC=CC=C3C=C(C2=O)C4=CC(=CC=C4)C(=N)N

Isomeric SMILES

CCCCC(C1CNCCC1C(=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(22-16-30-13-12-20(22)27(33)34)31-23-11-5-4-7-18(23)15-21(26(31)32)17-8-6-9-19(14-17)25(28)29/h4-9,11,14-15,20,22,24,30H,2-3,10,12-13,16H2,1H3,(H3,28,29)(H,33,34)