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

Systemtic Name: methyl 3-carbamimidoyl-4-[1-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-4-piperazin-1-yl-piperidin-4-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H31N5O5 MolecularWeight: 445.51204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O5/c1-3-32-19(29)14-26-9-6-22(18(28)13-26,27-10-7-25-8-11-27)17-5-4-15(21(30)31-2)12-16(17)20(23)24/h4-5,12,25H,3,6-11,13-14H2,1-2H3,(H3,23,24)