ethyl (2S,3R,5R)-3-ethanoyl-5-nonyl-2-(phenylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: ethyl (2S,3R,5R)-3-ethanoyl-5-nonyl-2-(phenylmethyl)pyrrolidine-1-carboxylate Openeye Name: ethyl (2S,3R,5R)-3-acetyl-2-benzyl-5-nonyl-pyrrolidine-1-carboxylate CAS Name: (2S,3R,5R)-3-acetyl-5-nonyl-2-(phenylmethyl)-1-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R,5R)-3-acetyl-2-benzyl-5-nonylpyrrolidine-1-carboxylate Traditional Name: (2S,3R,5R)-3-acetyl-2-benzyl-5-nonyl-pyrrolidine-1-carboxylic acid ethyl ester Formula: C25H39NO3 MolecularWeight: 401.58206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CC(C(N1C(=O)OCC)CC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CCCCCCCCC[C@@H]1C[C@H]([C@@H](N1C(=O)OCC)CC2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C25H39NO3/c1-4-6-7-8-9-10-14-17-22-19-23(20(3)27)24(26(22)25(28)29-5-2)18-21-15-12-11-13-16-21/h11-13,15-16,22-24H,4-10,14,17-19H2,1-3H3/t22-,23+,24+/m1/s1