ethyl 3-carbamimidoyl-4-[1-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-4-piperazin-1-yl-piperidin-4-yl]benzoate

Systemtic Name: ethyl 3-carbamimidoyl-4-[1-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-4-piperazin-1-yl-piperidin-4-yl]benzoate Openeye Name: ethyl 3-carbamimidoyl-4-[1-(2-ethoxy-2-oxo-ethyl)-3-oxo-4-piperazin-1-yl-4-piperidyl]benzoate CAS Name: 3-carbamimidoyl-4-[1-(2-ethoxy-2-oxoethyl)-3-oxo-4-(1-piperazinyl)-4-piperidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-carbamimidoyl-4-[1-(2-ethoxy-2-oxoethyl)-3-oxo-4-piperazin-1-ylpiperidin-4-yl]benzoate Traditional Name: 3-amidino-4-[1-(2-ethoxy-2-keto-ethyl)-3-keto-4-piperazino-4-piperidyl]benzoic acid ethyl ester Formula: C23H33N5O5 MolecularWeight: 459.53862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC(C(=O)C1)(C2=C(C=C(C=C2)C(=O)OCC)C(=N)N)N3CCNCC3

Isomeric SMILES

CCOC(=O)CN1CCC(C(=O)C1)(C2=C(C=C(C=C2)C(=O)OCC)C(=N)N)N3CCNCC3

InChI

InChI=1S/C23H33N5O5/c1-3-32-20(30)15-27-10-7-23(19(29)14-27,28-11-8-26-9-12-28)18-6-5-16(22(31)33-4-2)13-17(18)21(24)25/h5-6,13,26H,3-4,7-12,14-15H2,1-2H3,(H3,24,25)