(phenylmethyl) (2S)-2-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(E)-4-methoxy-4-oxo-but-2-enyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(E)-4-methoxy-4-oxobut-2-enyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(E)-4-methoxy-4-oxobut-2-enyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(E)-4-keto-4-methoxy-but-2-enyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCC1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)/C=C/C[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H21NO4/c1-21-16(19)11-5-9-15-10-6-12-18(15)17(20)22-13-14-7-3-2-4-8-14/h2-5,7-8,11,15H,6,9-10,12-13H2,1H3/b11-5+/t15-/m1/s1