5-carbamimidoyl-2-[1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]-2-ethyl-1-pyridin-4-yl-piperidine-4-carboxylic acid

Systemtic Name: 5-carbamimidoyl-2-[1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]-2-ethyl-1-pyridin-4-yl-piperidine-4-carboxylic acid Openeye Name: 5-carbamimidoyl-2-[1-[2-(cyclohexylamino)-2-oxo-ethyl]benzimidazol-2-yl]-2-ethyl-1-(4-pyridyl)piperidine-4-carboxylic acid CAS Name: 5-carbamimidoyl-2-[1-[2-(cyclohexylamino)-2-oxoethyl]-2-benzimidazolyl]-2-ethyl-1-pyridin-4-yl-4-piperidinecarboxylic acid IUPAC Name: 5-carbamimidoyl-2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]-2-ethyl-1-pyridin-4-ylpiperidine-4-carboxylic acid Traditional Name: 5-amidino-2-[1-[2-(cyclohexylamino)-2-keto-ethyl]benzimidazol-2-yl]-2-ethyl-1-(4-pyridyl)isonipecotic acid Formula: C29H37N7O3 MolecularWeight: 531.64918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C(CN1C2=CC=NC=C2)C(=N)N)C(=O)O)C3=NC4=CC=CC=C4N3CC(=O)NC5CCCCC5

Isomeric SMILES

CCC1(CC(C(CN1C2=CC=NC=C2)C(=N)N)C(=O)O)C3=NC4=CC=CC=C4N3CC(=O)NC5CCCCC5

InChI

InChI=1S/C29H37N7O3/c1-2-29(16-21(27(38)39)22(26(30)31)17-36(29)20-12-14-32-15-13-20)28-34-23-10-6-7-11-24(23)35(28)18-25(37)33-19-8-4-3-5-9-19/h6-7,10-15,19,21-22H,2-5,8-9,16-18H2,1H3,(H3,30,31)(H,33,37)(H,38,39)