4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]benzoic acid

Systemtic Name: 4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]benzoic acid Openeye Name: 4-carbamimidoyl-2-[2-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]ethoxy]benzoic acid CAS Name: 4-carbamimidoyl-2-[2-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]ethoxy]benzoic acid IUPAC Name: 4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]benzoic acid Traditional Name: 4-amidino-2-[2-[[1-(4-pyridyl)isonipecotoyl]amino]ethoxy]benzoic acid Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCOC2=C(C=CC(=C2)C(=N)N)C(=O)O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCOC2=C(C=CC(=C2)C(=N)N)C(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5O4/c22-19(23)15-1-2-17(21(28)29)18(13-15)30-12-9-25-20(27)14-5-10-26(11-6-14)16-3-7-24-8-4-16/h1-4,7-8,13-14H,5-6,9-12H2,(H3,22,23)(H,25,27)(H,28,29)