dimethyl (1S,4R)-2-phenyl-7-azabicyclo[2.2.1]hept-2-ene-3,7-dicarboxylate

Systemtic Name: dimethyl (1S,4R)-2-phenyl-7-azabicyclo[2.2.1]hept-2-ene-3,7-dicarboxylate Openeye Name: dimethyl (1S,4R)-2-phenyl-7-azabicyclo[2.2.1]hept-2-ene-3,7-dicarboxylate CAS Name: (1S,4R)-2-phenyl-7-azabicyclo[2.2.1]hept-2-ene-3,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,4R)-2-phenyl-7-azabicyclo[2.2.1]hept-2-ene-3,7-dicarboxylate Traditional Name: (1S,4R)-2-phenyl-7-azabicyclo[2.2.1]hept-2-ene-3,7-dicarboxylic acid dimethyl ester Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2CCC1N2C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C([C@@H]2CC[C@H]1N2C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C16H17NO4/c1-20-15(18)14-12-9-8-11(17(12)16(19)21-2)13(14)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/t11-,12+/m0/s1