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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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