tert-butyl 2-[1-[2-[(4-carbamimidoylphenyl)carbonylamino]ethanoyl]piperidin-4-yl]oxyethanoate

Systemtic Name: tert-butyl 2-[1-[2-[(4-carbamimidoylphenyl)carbonylamino]ethanoyl]piperidin-4-yl]oxyethanoate Openeye Name: tert-butyl 2-[[1-[2-[(4-carbamimidoylbenzoyl)amino]acetyl]-4-piperidyl]oxy]acetate CAS Name: 2-[[1-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxoethyl]-4-piperidinyl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-[2-[(4-carbamimidoylbenzoyl)amino]acetyl]piperidin-4-yl]oxyacetate Traditional Name: 2-[[1-[2-[(4-amidinobenzoyl)amino]acetyl]-4-piperidyl]oxy]acetic acid tert-butyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1CCN(CC1)C(=O)CNC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)COC1CCN(CC1)C(=O)CNC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H30N4O5/c1-21(2,3)30-18(27)13-29-16-8-10-25(11-9-16)17(26)12-24-20(28)15-6-4-14(5-7-15)19(22)23/h4-7,16H,8-13H2,1-3H3,(H3,22,23)(H,24,28)