(2S,3R,6S)-3,6-bis[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-1-phenylmethoxycarbonyl-piperidine-2-carboxylic acid

Systemtic Name: (2S,3R,6S)-3,6-bis[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-1-phenylmethoxycarbonyl-piperidine-2-carboxylic acid Openeye Name: (2S,3R,6S)-1-benzyloxycarbonyl-3,6-bis[(E)-3-methoxy-3-oxo-prop-1-enyl]piperidine-2-carboxylic acid CAS Name: (2S,3R,6S)-3,6-bis[(E)-3-methoxy-3-oxoprop-1-enyl]-1-phenylmethoxycarbonyl-2-piperidinecarboxylic acid IUPAC Name: (2S,3R,6S)-3,6-bis[(E)-3-methoxy-3-oxoprop-1-enyl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid Traditional Name: (2S,3R,6S)-1-carbobenzoxy-3,6-bis[(E)-3-keto-3-methoxy-prop-1-enyl]pipecolinic acid Formula: C22H25NO8 MolecularWeight: 431.4358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1CCC(N(C1C(=O)O)C(=O)OCC2=CC=CC=C2)C=CC(=O)OC

Isomeric SMILES

COC(=O)/C=C/[C@H]1CC[C@H](N([C@@H]1C(=O)O)C(=O)OCC2=CC=CC=C2)/C=C/C(=O)OC

InChI

InChI=1S/C22H25NO8/c1-29-18(24)12-9-16-8-10-17(11-13-19(25)30-2)23(20(16)21(26)27)22(28)31-14-15-6-4-3-5-7-15/h3-7,9,11-13,16-17,20H,8,10,14H2,1-2H3,(H,26,27)/b12-9+,13-11+/t16-,17+,20+/m1/s1