methyl (3R,4S,5S)-4-methyl-3-pentyl-5-phenyl-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl (3R,4S,5S)-4-methyl-3-pentyl-5-phenyl-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: methyl (3R,4S,5S)-1-benzyl-4-methyl-3-pentyl-5-phenyl-pyrrolidine-3-carboxylate CAS Name: (3R,4S,5S)-4-methyl-3-pentyl-5-phenyl-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S,5S)-1-benzyl-4-methyl-3-pentyl-5-phenylpyrrolidine-3-carboxylate Traditional Name: (3R,4S,5S)-3-amyl-1-benzyl-4-methyl-5-phenyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C25H33NO2 MolecularWeight: 379.53502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CN(C(C1C)C2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCC[C@@]1(CN([C@@H]([C@H]1C)C2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H33NO2/c1-4-5-12-17-25(24(27)28-3)19-26(18-21-13-8-6-9-14-21)23(20(25)2)22-15-10-7-11-16-22/h6-11,13-16,20,23H,4-5,12,17-19H2,1-3H3/t20-,23+,25+/m1/s1