6-[[3-(2-hydroxyphenyl)piperazin-1-yl]amino]-5-oxidanylidene-octanoic acid

Systemtic Name: 6-[[3-(2-hydroxyphenyl)piperazin-1-yl]amino]-5-oxidanylidene-octanoic acid Openeye Name: 6-[[3-(2-hydroxyphenyl)piperazin-1-yl]amino]-5-oxo-octanoic acid CAS Name: 6-[[3-(2-hydroxyphenyl)-1-piperazinyl]amino]-5-oxooctanoic acid IUPAC Name: 6-[[3-(2-hydroxyphenyl)piperazin-1-yl]amino]-5-oxooctanoic acid Traditional Name: 6-[[3-(2-hydroxyphenyl)piperazino]amino]-5-keto-caprylic acid Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)CCCC(=O)O)NN1CCNC(C1)C2=CC=CC=C2O

Isomeric SMILES

CCC(C(=O)CCCC(=O)O)NN1CCNC(C1)C2=CC=CC=C2O

InChI

InChI=1S/C18H27N3O4/c1-2-14(17(23)8-5-9-18(24)25)20-21-11-10-19-15(12-21)13-6-3-4-7-16(13)22/h3-4,6-7,14-15,19-20,22H,2,5,8-12H2,1H3,(H,24,25)