(phenylmethyl) 4-[3-[2,3-bis(oxidanylidene)-4-propanoyloxy-piperazin-1-yl]propoxy]-3-carbamimidoyl-benzoate

Systemtic Name: (phenylmethyl) 4-[3-[2,3-bis(oxidanylidene)-4-propanoyloxy-piperazin-1-yl]propoxy]-3-carbamimidoyl-benzoate Openeye Name: benzyl 3-carbamimidoyl-4-[3-(2,3-dioxo-4-propanoyloxy-piperazin-1-yl)propoxy]benzoate CAS Name: 3-carbamimidoyl-4-[3-[2,3-dioxo-4-(1-oxopropoxy)-1-piperazinyl]propoxy]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-carbamimidoyl-4-[3-(2,3-dioxo-4-propanoyloxypiperazin-1-yl)propoxy]benzoate Traditional Name: 3-amidino-4-[3-(2,3-diketo-4-propionyloxy-piperazino)propoxy]benzoic acid benzyl ester Formula: C25H28N4O7 MolecularWeight: 496.51242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ON1CCN(C(=O)C1=O)CCCOC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3)C(=N)N

Isomeric SMILES

CCC(=O)ON1CCN(C(=O)C1=O)CCCOC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3)C(=N)N

InChI

InChI=1S/C25H28N4O7/c1-2-21(30)36-29-13-12-28(23(31)24(29)32)11-6-14-34-20-10-9-18(15-19(20)22(26)27)25(33)35-16-17-7-4-3-5-8-17/h3-5,7-10,15H,2,6,11-14,16H2,1H3,(H3,26,27)