methyl (1S,3R,4R)-3-(6-chloranylpyridin-3-yl)-7-(phenylcarbonyl)-7-azabicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: methyl (1S,3R,4R)-3-(6-chloranylpyridin-3-yl)-7-(phenylcarbonyl)-7-azabicyclo[2.2.1]heptane-4-carboxylate Openeye Name: methyl (1S,3R,4R)-7-benzoyl-3-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptane-4-carboxylate CAS Name: (1S,3R,4R)-7-benzoyl-3-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,3R,4R)-7-benzoyl-3-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane-4-carboxylate Traditional Name: (1S,3R,4R)-7-benzoyl-3-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptane-4-carboxylic acid methyl ester Formula: C20H19ClN2O3 MolecularWeight: 370.82946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CCC(N1C(=O)C3=CC=CC=C3)CC2C4=CN=C(C=C4)Cl

Isomeric SMILES

COC(=O)[C@]12CC[C@H](N1C(=O)C3=CC=CC=C3)C[C@@H]2C4=CN=C(C=C4)Cl

InChI

InChI=1S/C20H19ClN2O3/c1-26-19(25)20-10-9-15(11-16(20)14-7-8-17(21)22-12-14)23(20)18(24)13-5-3-2-4-6-13/h2-8,12,15-16H,9-11H2,1H3/t15-,16+,20+/m0/s1