(phenylmethyl) (3S,8aS)-5-oxidanylidene-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate

Systemtic Name: (phenylmethyl) (3S,8aS)-5-oxidanylidene-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate Openeye Name: benzyl (3S,8aS)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate CAS Name: (3S,8aS)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,8aS)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate Traditional Name: (3S,8aS)-5-keto-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylic acid benzyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2C1CC=CC2=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](N2[C@@H]1CC=CC2=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H17NO3/c18-15-8-4-7-13-9-10-14(17(13)15)16(19)20-11-12-5-2-1-3-6-12/h1-6,8,13-14H,7,9-11H2/t13-,14+/m1/s1