2-[1-[1-(4-carbamimidoylphenyl)carbonylpiperidin-2-yl]carbonylpiperidin-4-yl]oxyethanoate

Systemtic Name: 2-[1-[1-(4-carbamimidoylphenyl)carbonylpiperidin-2-yl]carbonylpiperidin-4-yl]oxyethanoate Openeye Name: 2-[[1-[1-(4-carbamimidoylbenzoyl)piperidine-2-carbonyl]-4-piperidyl]oxy]acetate CAS Name: 2-[[1-[[1-[(4-carbamimidoylphenyl)-oxomethyl]-2-piperidinyl]-oxomethyl]-4-piperidinyl]oxy]acetate IUPAC Name: 2-[1-[1-(4-carbamimidoylbenzoyl)piperidine-2-carbonyl]piperidin-4-yl]oxyacetate Traditional Name: 2-[[1-[1-(4-amidinobenzoyl)pipecoloyl]-4-piperidyl]oxy]acetate Formula: C21H27N4O5- MolecularWeight: 415.46288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N2CCC(CC2)OCC(=O)[O-])C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CCN(C(C1)C(=O)N2CCC(CC2)OCC(=O)[O-])C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H28N4O5/c22-19(23)14-4-6-15(7-5-14)20(28)25-10-2-1-3-17(25)21(29)24-11-8-16(9-12-24)30-13-18(26)27/h4-7,16-17H,1-3,8-13H2,(H3,22,23)(H,26,27)/p-1