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

Systemtic Name: methyl 3-carbamimidoyl-4-[1-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-4-piperazin-1-yl-piperidin-4-yl]benzoate Openeye Name: methyl 3-carbamimidoyl-4-[1-(2-methoxy-2-oxo-ethyl)-3-oxo-4-piperazin-1-yl-4-piperidyl]benzoate CAS Name: 3-carbamimidoyl-4-[1-(2-methoxy-2-oxoethyl)-3-oxo-4-(1-piperazinyl)-4-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 3-carbamimidoyl-4-[1-(2-methoxy-2-oxoethyl)-3-oxo-4-piperazin-1-ylpiperidin-4-yl]benzoate Traditional Name: 3-amidino-4-[3-keto-1-(2-keto-2-methoxy-ethyl)-4-piperazino-4-piperidyl]benzoic acid methyl ester Formula: C21H29N5O5 MolecularWeight: 431.48546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O5/c1-30-18(28)13-25-8-5-21(17(27)12-25,26-9-6-24-7-10-26)16-4-3-14(20(29)31-2)11-15(16)19(22)23/h3-4,11,24H,5-10,12-13H2,1-2H3,(H3,22,23)