propan-2-yl 2-[4-[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]phenoxy]ethanoate

Systemtic Name: propan-2-yl 2-[4-[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]phenoxy]ethanoate Openeye Name: isopropyl 2-[4-[4-(5-carbamimidoyl-2-pyridyl)piperazin-1-yl]phenoxy]acetate CAS Name: 2-[4-[4-(5-carbamimidoyl-2-pyridinyl)-1-piperazinyl]phenoxy]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[4-[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]phenoxy]acetate Traditional Name: 2-[4-[4-(5-amidino-2-pyridyl)piperazino]phenoxy]acetic acid isopropyl ester Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)OC(=O)COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H27N5O3/c1-15(2)29-20(27)14-28-18-6-4-17(5-7-18)25-9-11-26(12-10-25)19-8-3-16(13-24-19)21(22)23/h3-8,13,15H,9-12,14H2,1-2H3,(H3,22,23)