methyl (3R,4S)-4-but-3-enyl-3-pentyl-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl (3R,4S)-4-but-3-enyl-3-pentyl-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: methyl (3R,4S)-1-benzyl-4-but-3-enyl-3-pentyl-pyrrolidine-3-carboxylate CAS Name: (3R,4S)-4-but-3-enyl-3-pentyl-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-1-benzyl-4-but-3-enyl-3-pentylpyrrolidine-3-carboxylate Traditional Name: (3R,4S)-3-amyl-1-benzyl-4-but-3-enyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C22H33NO2 MolecularWeight: 343.50292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CN(CC1CCC=C)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO2/c1-4-6-11-15-22(21(24)25-3)18-23(17-20(22)14-7-5-2)16-19-12-9-8-10-13-19/h5,8-10,12-13,20H,2,4,6-7,11,14-18H2,1,3H3/t20-,22+/m1/s1