4-[[6-[2-(cyclohexen-1-yl)ethylamino]pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[6-[2-(cyclohexen-1-yl)ethylamino]pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[6-[2-(1-cyclohexenyl)ethylamino]-3-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[6-[2-(cyclohexen-1-yl)ethylamino]pyridin-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridyl]amino]-4-keto-butyric acid Formula: C17H23N3O3 MolecularWeight: 317.38282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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