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

Systemtic Name: 2-[4-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)piperazin-1-yl]-1-(2-ethoxy-2-oxidanylidene-ethyl)piperidin-3-yl]ethanoic acid Openeye Name: 2-[4-[4-(2-carbamimidoyl-4-hydroxy-phenyl)piperazin-1-yl]-1-(2-ethoxy-2-oxo-ethyl)-3-piperidyl]acetic acid CAS Name: 2-[4-[4-(2-carbamimidoyl-4-hydroxyphenyl)-1-piperazinyl]-1-(2-ethoxy-2-oxoethyl)-3-piperidinyl]acetic acid IUPAC Name: 2-[4-[4-(2-carbamimidoyl-4-hydroxyphenyl)piperazin-1-yl]-1-(2-ethoxy-2-oxoethyl)piperidin-3-yl]acetic acid Traditional Name: 2-[4-[4-(2-amidino-4-hydroxy-phenyl)piperazino]-1-(2-ethoxy-2-keto-ethyl)-3-piperidyl]acetic acid Formula: C22H33N5O5 MolecularWeight: 447.52792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC(C(C1)CC(=O)O)N2CCN(CC2)C3=C(C=C(C=C3)O)C(=N)N

Isomeric SMILES

CCOC(=O)CN1CCC(C(C1)CC(=O)O)N2CCN(CC2)C3=C(C=C(C=C3)O)C(=N)N

InChI

InChI=1S/C22H33N5O5/c1-2-32-21(31)14-25-6-5-18(15(13-25)11-20(29)30)26-7-9-27(10-8-26)19-4-3-16(28)12-17(19)22(23)24/h3-4,12,15,18,28H,2,5-11,13-14H2,1H3,(H3,23,24)(H,29,30)