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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCC(CC1)N2CCN(C(=O)C2)C3=C(C=C(C=C3)C(=O)OC)C(=N)N

Isomeric SMILES

COC(=O)CN1CCC(CC1)N2CCN(C(=O)C2)C3=C(C=C(C=C3)C(=O)OC)C(=N)N

InChI

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