(1S,4S,8S)-5-phenylmethoxycarbonyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid

Systemtic Name: (1S,4S,8S)-5-phenylmethoxycarbonyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid Openeye Name: (1S,4S,8S)-5-benzyloxycarbonyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid CAS Name: (1S,4S,8S)-5-phenylmethoxycarbonyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid IUPAC Name: (1S,4S,8S)-5-phenylmethoxycarbonyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid Traditional Name: (1S,4S,8S)-5-carbobenzoxy-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(C(C1C(=O)O)C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1[C@@H]2CN([C@H]([C@H]1C(=O)O)C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H17NO4/c18-15(19)13-8-12-6-7-14(13)17(9-12)16(20)21-10-11-4-2-1-3-5-11/h1-7,12-14H,8-10H2,(H,18,19)/t12-,13+,14+/m1/s1