(phenylmethyl) (2S)-2-[(E,2R)-5-oxidanylidenedec-3-en-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(E,2R)-5-oxidanylidenedec-3-en-2-yl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(E,1R)-1-methyl-4-oxo-non-2-enyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(E,2R)-5-oxodec-3-en-2-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(E,2R)-5-oxodec-3-en-2-yl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(E,1R)-4-keto-1-methyl-non-2-enyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=CC(C)C1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO3/c1-3-4-6-12-20(24)15-14-18(2)21-13-9-16-23(21)22(25)26-17-19-10-7-5-8-11-19/h5,7-8,10-11,14-15,18,21H,3-4,6,9,12-13,16-17H2,1-2H3/b15-14+/t18-,21+/m1/s1