O1-tert-butyl O2-ethyl (2S,4R,5S)-4-(phenylmethyl)-5-prop-2-enyl-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-ethyl (2S,4R,5S)-4-(phenylmethyl)-5-prop-2-enyl-pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl (2S,4R,5S)-5-allyl-4-benzyl-pyrrolidine-1,2-dicarboxylate CAS Name: (2S,4R,5S)-4-(phenylmethyl)-5-prop-2-enylpyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl (2S,4R,5S)-4-benzyl-5-prop-2-enylpyrrolidine-1,2-dicarboxylate Traditional Name: (2S,4R,5S)-5-allyl-4-benzyl-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(N1C(=O)OC(C)(C)C)CC=C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@H]([C@@H](N1C(=O)OC(C)(C)C)CC=C)CC2=CC=CC=C2

InChI

InChI=1S/C22H31NO4/c1-6-11-18-17(14-16-12-9-8-10-13-16)15-19(20(24)26-7-2)23(18)21(25)27-22(3,4)5/h6,8-10,12-13,17-19H,1,7,11,14-15H2,2-5H3/t17-,18+,19+/m1/s1