methyl (2S,3S,4S)-2,4-dimethyl-3-pentyl-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl (2S,3S,4S)-2,4-dimethyl-3-pentyl-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: methyl (2S,3S,4S)-1-benzyl-2,4-dimethyl-3-pentyl-pyrrolidine-3-carboxylate CAS Name: (2S,3S,4S)-2,4-dimethyl-3-pentyl-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S)-1-benzyl-2,4-dimethyl-3-pentylpyrrolidine-3-carboxylate Traditional Name: (2S,3S,4S)-3-amyl-1-benzyl-2,4-dimethyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C20H31NO2 MolecularWeight: 317.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C(CN(C1C)CC2=CC=CC=C2)C)C(=O)OC

Isomeric SMILES

CCCCC[C@@]1([C@@H](CN([C@H]1C)CC2=CC=CC=C2)C)C(=O)OC

InChI

InChI=1S/C20H31NO2/c1-5-6-10-13-20(19(22)23-4)16(2)14-21(17(20)3)15-18-11-8-7-9-12-18/h7-9,11-12,16-17H,5-6,10,13-15H2,1-4H3/t16-,17+,20+/m1/s1