methyl 2-[4-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)-3-oxidanylidene-piperazin-1-yl]piperidin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)-3-oxidanylidene-piperazin-1-yl]piperidin-1-yl]ethanoate Openeye Name: methyl 2-[4-[4-(2-carbamimidoyl-4-hydroxy-phenyl)-3-oxo-piperazin-1-yl]-1-piperidyl]acetate CAS Name: 2-[4-[4-(2-carbamimidoyl-4-hydroxyphenyl)-3-oxo-1-piperazinyl]-1-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(2-carbamimidoyl-4-hydroxyphenyl)-3-oxopiperazin-1-yl]piperidin-1-yl]acetate Traditional Name: 2-[4-[4-(2-amidino-4-hydroxy-phenyl)-3-keto-piperazino]piperidino]acetic acid methyl ester Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O4/c1-28-18(27)12-22-6-4-13(5-7-22)23-8-9-24(17(26)11-23)16-3-2-14(25)10-15(16)19(20)21/h2-3,10,13,25H,4-9,11-12H2,1H3,(H3,20,21)