4-[[5-[2-(cyclohexen-1-yl)ethylamino]pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-[2-(cyclohexen-1-yl)ethylamino]pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-[2-(1-cyclohexenyl)ethylamino]-2-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-[2-(cyclohexen-1-yl)ethylamino]pyridin-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridyl]amino]-4-keto-butyric acid Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=CN=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

C1CCC(=CC1)CCNC2=CN=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C17H23N3O3/c21-16(8-9-17(22)23)20-15-7-6-14(12-19-15)18-11-10-13-4-2-1-3-5-13/h4,6-7,12,18H,1-3,5,8-11H2,(H,22,23)(H,19,20,21)