(phenylmethyl) (2S)-2-[(E)-12-oxidanylidenedodec-1-enyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(E)-12-oxidanylidenedodec-1-enyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(E)-12-oxododec-1-enyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(E)-12-oxododec-1-enyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(E)-12-oxododec-1-enyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(E)-12-ketododec-1-enyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C24H35NO3 MolecularWeight: 385.5396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C=CCCCCCCCCCC=O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)/C=C/CCCCCCCCCC=O

InChI

InChI=1S/C24H35NO3/c26-20-13-8-6-4-2-1-3-5-7-12-17-23-18-14-19-25(23)24(27)28-21-22-15-10-9-11-16-22/h9-12,15-17,20,23H,1-8,13-14,18-19,21H2/b17-12+/t23-/m1/s1