tert-butyl (3S,4S)-3-(2-methylpropyl)-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S,4S)-3-(2-methylpropyl)-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S,4S)-3-(benzyloxymethyl)-4-isobutyl-pyrrolidine-1-carboxylate CAS Name: (3S,4S)-3-(2-methylpropyl)-4-(phenylmethoxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S)-3-(2-methylpropyl)-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate Traditional Name: (3S,4S)-3-(benzoxymethyl)-4-isobutyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CC1COCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H]1CN(C[C@H]1COCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33NO3/c1-16(2)11-18-12-22(20(23)25-21(3,4)5)13-19(18)15-24-14-17-9-7-6-8-10-17/h6-10,16,18-19H,11-15H2,1-5H3/t18-,19+/m1/s1