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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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