tert-butyl (2S)-2-[(E,3S)-4-methoxy-4-oxidanylidene-3-(phenylmethyl)but-1-enyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(E,3S)-4-methoxy-4-oxidanylidene-3-(phenylmethyl)but-1-enyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(E,3S)-3-benzyl-4-methoxy-4-oxo-but-1-enyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(E,3S)-4-methoxy-4-oxo-3-(phenylmethyl)but-1-enyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(E,3S)-3-benzyl-4-methoxy-4-oxobut-1-enyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(E,3S)-3-benzyl-4-keto-4-methoxy-but-1-enyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H29NO4 MolecularWeight: 359.45926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C=CC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1/C=C/[C@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H29NO4/c1-21(2,3)26-20(24)22-14-8-11-18(22)13-12-17(19(23)25-4)15-16-9-6-5-7-10-16/h5-7,9-10,12-13,17-18H,8,11,14-15H2,1-4H3/b13-12+/t17-,18+/m1/s1