methyl (3S,4S)-3-heptyl-4-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate

Systemtic Name: methyl (3S,4S)-3-heptyl-4-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate Openeye Name: methyl (3S,4S)-3-heptyl-4-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate CAS Name: (3S,4S)-3-heptyl-4-methyl-1-[(1R)-1-phenylethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-3-heptyl-4-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate Traditional Name: (3S,4S)-3-heptyl-4-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C22H35NO2 MolecularWeight: 345.5188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CN(CC1C)C(C)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO2/c1-5-6-7-8-12-15-22(21(24)25-4)17-23(16-18(22)2)19(3)20-13-10-9-11-14-20/h9-11,13-14,18-19H,5-8,12,15-17H2,1-4H3/t18-,19-,22-/m1/s1