diethyl (1S,2S)-4-[3-(methylamino)pyridin-2-yl]cyclohex-4-ene-1,2-dicarboxylate

Systemtic Name: diethyl (1S,2S)-4-[3-(methylamino)pyridin-2-yl]cyclohex-4-ene-1,2-dicarboxylate Openeye Name: diethyl (1S,2S)-4-[3-(methylamino)-2-pyridyl]cyclohex-4-ene-1,2-dicarboxylate CAS Name: (1S,2S)-4-[3-(methylamino)-2-pyridinyl]cyclohex-4-ene-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2S)-4-[3-(methylamino)pyridin-2-yl]cyclohex-4-ene-1,2-dicarboxylate Traditional Name: (1S,2S)-4-[3-(methylamino)-2-pyridyl]cyclohex-4-ene-1,2-dicarboxylic acid diethyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC=C(CC1C(=O)OCC)C2=C(C=CC=N2)NC

Isomeric SMILES

CCOC(=O)[C@H]1CC=C(C[C@@H]1C(=O)OCC)C2=C(C=CC=N2)NC

InChI

InChI=1S/C18H24N2O4/c1-4-23-17(21)13-9-8-12(11-14(13)18(22)24-5-2)16-15(19-3)7-6-10-20-16/h6-8,10,13-14,19H,4-5,9,11H2,1-3H3/t13-,14-/m0/s1