(phenylmethyl) (2R,5S)-2-[(Z)-but-1-enyl]-5-(2-oxidanylideneethyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,5S)-2-[(Z)-but-1-enyl]-5-(2-oxidanylideneethyl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,5S)-2-[(Z)-but-1-enyl]-5-(2-oxoethyl)pyrrolidine-1-carboxylate CAS Name: (2R,5S)-2-[(Z)-but-1-enyl]-5-(2-oxoethyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5S)-2-[(Z)-but-1-enyl]-5-(2-oxoethyl)pyrrolidine-1-carboxylate Traditional Name: (2R,5S)-2-[(Z)-but-1-enyl]-5-(2-ketoethyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1CCC(N1C(=O)OCC2=CC=CC=C2)CC=O

Isomeric SMILES

CC/C=C\[C@H]1CC[C@H](N1C(=O)OCC2=CC=CC=C2)CC=O

InChI

InChI=1S/C18H23NO3/c1-2-3-9-16-10-11-17(12-13-20)19(16)18(21)22-14-15-7-5-4-6-8-15/h3-9,13,16-17H,2,10-12,14H2,1H3/b9-3-/t16-,17-/m0/s1