ethyl (2S,4S,5R)-5-butyl-4-(phenylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S,4S,5R)-5-butyl-4-(phenylmethyl)pyrrolidine-2-carboxylate Openeye Name: ethyl (2S,4S,5R)-4-benzyl-5-butyl-pyrrolidine-2-carboxylate CAS Name: (2S,4S,5R)-5-butyl-4-(phenylmethyl)-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,4S,5R)-4-benzyl-5-butylpyrrolidine-2-carboxylate Traditional Name: (2S,4S,5R)-4-benzyl-5-butyl-pyrrolidine-2-carboxylic acid ethyl ester Formula: C18H27NO2 MolecularWeight: 289.41248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(CC(N1)C(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCC[C@@H]1[C@H](C[C@H](N1)C(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C18H27NO2/c1-3-5-11-16-15(12-14-9-7-6-8-10-14)13-17(19-16)18(20)21-4-2/h6-10,15-17,19H,3-5,11-13H2,1-2H3/t15-,16+,17-/m0/s1