diethyl (3R,4R,5S)-3-butyl-4-methanoyl-5-phenyl-pyrrolidine-2,2-dicarboxylate

Systemtic Name: diethyl (3R,4R,5S)-3-butyl-4-methanoyl-5-phenyl-pyrrolidine-2,2-dicarboxylate Openeye Name: diethyl (3R,4R,5S)-3-butyl-4-formyl-5-phenyl-pyrrolidine-2,2-dicarboxylate CAS Name: (3R,4R,5S)-3-butyl-4-formyl-5-phenylpyrrolidine-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3R,4R,5S)-3-butyl-4-formyl-5-phenylpyrrolidine-2,2-dicarboxylate Traditional Name: (3R,4R,5S)-3-butyl-4-formyl-5-phenyl-pyrrolidine-2,2-dicarboxylic acid diethyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(NC1(C(=O)OCC)C(=O)OCC)C2=CC=CC=C2)C=O

Isomeric SMILES

CCCC[C@@H]1[C@H]([C@H](NC1(C(=O)OCC)C(=O)OCC)C2=CC=CC=C2)C=O

InChI

InChI=1S/C21H29NO5/c1-4-7-13-17-16(14-23)18(15-11-9-8-10-12-15)22-21(17,19(24)26-5-2)20(25)27-6-3/h8-12,14,16-18,22H,4-7,13H2,1-3H3/t16-,17-,18-/m1/s1