[4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethoxy]carbonylphenyl] 1-carbamimidoylpiperidine-4-carboxylate

Systemtic Name: [4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethoxy]carbonylphenyl] 1-carbamimidoylpiperidine-4-carboxylate Openeye Name: [4-[2-(4-methylpiperazin-1-yl)-2-oxo-ethoxy]carbonylphenyl] 1-carbamimidoylpiperidine-4-carboxylate CAS Name: 1-carbamimidoyl-4-piperidinecarboxylic acid [4-[[2-(4-methyl-1-piperazinyl)-2-oxoethoxy]-oxomethyl]phenyl] ester IUPAC Name: [4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]carbonylphenyl] 1-carbamimidoylpiperidine-4-carboxylate Traditional Name: 1-amidinoisonipecotic acid [4-[2-keto-2-(4-methylpiperazino)ethoxy]carbonylphenyl] ester Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)C(=N)N

Isomeric SMILES

CN1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)C(=N)N

InChI

InChI=1S/C21H29N5O5/c1-24-10-12-25(13-11-24)18(27)14-30-19(28)15-2-4-17(5-3-15)31-20(29)16-6-8-26(9-7-16)21(22)23/h2-5,16H,6-14H2,1H3,(H3,22,23)