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

Systemtic Name: ethyl 2-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)-3-oxidanylidene-4-piperazin-1-yl-piperidin-1-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O4/c1-2-29-18(28)13-24-8-5-20(17(27)12-24,25-9-6-23-7-10-25)16-4-3-14(26)11-15(16)19(21)22/h3-4,11,23,26H,2,5-10,12-13H2,1H3,(H3,21,22)