methyl 4-[[2-[cyclohexyl(methyl)amino]pyridin-3-yl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[2-[cyclohexyl(methyl)amino]pyridin-3-yl]methylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[2-[cyclohexyl(methyl)amino]-3-pyridyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-[cyclohexyl(methyl)amino]pyridin-3-yl]methylamino]-4-oxobutanoate Traditional Name: 4-[[2-[cyclohexyl(methyl)amino]-3-pyridyl]methylamino]-4-keto-butyric acid methyl ester Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=C(C=CC=N2)CNC(=O)CCC(=O)OC

Isomeric SMILES

CN(C1CCCCC1)C2=C(C=CC=N2)CNC(=O)CCC(=O)OC

InChI

InChI=1S/C18H27N3O3/c1-21(15-8-4-3-5-9-15)18-14(7-6-12-19-18)13-20-16(22)10-11-17(23)24-2/h6-7,12,15H,3-5,8-11,13H2,1-2H3,(H,20,22)