prop-2-enyl (3aR,7aR)-3a-methoxy-6-oxidanylidene-2,3,7,7a-tetrahydroindole-1-carboxylate

Systemtic Name: prop-2-enyl (3aR,7aR)-3a-methoxy-6-oxidanylidene-2,3,7,7a-tetrahydroindole-1-carboxylate Openeye Name: allyl (3aR,7aR)-3a-methoxy-6-oxo-2,3,7,7a-tetrahydroindole-1-carboxylate CAS Name: (3aR,7aR)-3a-methoxy-6-oxo-2,3,7,7a-tetrahydroindole-1-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (3aR,7aR)-3a-methoxy-6-oxo-2,3,7,7a-tetrahydroindole-1-carboxylate Traditional Name: (3aR,7aR)-6-keto-3a-methoxy-2,3,7,7a-tetrahydroindole-1-carboxylic acid allyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

COC12CCN(C1CC(=O)C=C2)C(=O)OCC=C

Isomeric SMILES

CO[C@@]12CCN([C@@H]1CC(=O)C=C2)C(=O)OCC=C

InChI

InChI=1S/C13H17NO4/c1-3-8-18-12(16)14-7-6-13(17-2)5-4-10(15)9-11(13)14/h3-5,11H,1,6-9H2,2H3/t11-,13+/m1/s1