2-[4-[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-[4-(5-carbamimidoyl-2-pyridyl)piperazin-1-yl]phenoxy]acetic acid CAS Name: 2-[4-[4-(5-carbamimidoyl-2-pyridinyl)-1-piperazinyl]phenoxy]acetic acid IUPAC Name: 2-[4-[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]phenoxy]acetic acid Traditional Name: 2-[4-[4-(5-amidino-2-pyridyl)piperazino]phenoxy]acetic acid Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)OCC(=O)O)C3=NC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)OCC(=O)O)C3=NC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H21N5O3/c19-18(20)13-1-6-16(21-11-13)23-9-7-22(8-10-23)14-2-4-15(5-3-14)26-12-17(24)25/h1-6,11H,7-10,12H2,(H3,19,20)(H,24,25)