3-[(Z)-(1-azanyl-2-pyridin-3-yl-ethylidene)amino]oxycarbonyl-6-cyclohexyl-hexanoate

Systemtic Name: 3-[(Z)-(1-azanyl-2-pyridin-3-yl-ethylidene)amino]oxycarbonyl-6-cyclohexyl-hexanoate Openeye Name: 3-[(Z)-[1-amino-2-(3-pyridyl)ethylidene]amino]oxycarbonyl-6-cyclohexyl-hexanoate CAS Name: 3-[[(Z)-[1-amino-2-(3-pyridinyl)ethylidene]amino]oxy-oxomethyl]-6-cyclohexylhexanoate IUPAC Name: 3-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxycarbonyl-6-cyclohexylhexanoate Traditional Name: 3-[(Z)-[1-amino-2-(3-pyridyl)ethylidene]amino]oxycarbonyl-6-cyclohexyl-hexanoate Formula: C20H28N3O4- MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCC(CC(=O)[O-])C(=O)ON=C(CC2=CN=CC=C2)N

Isomeric SMILES

C1CCC(CC1)CCCC(CC(=O)[O-])C(=O)O/N=C(/CC2=CN=CC=C2)\N

InChI

InChI=1S/C20H29N3O4/c21-18(12-16-9-5-11-22-14-16)23-27-20(26)17(13-19(24)25)10-4-8-15-6-2-1-3-7-15/h5,9,11,14-15,17H,1-4,6-8,10,12-13H2,(H2,21,23)(H,24,25)/p-1