ditert-butyl (3S,4S)-4-[(phenylmethyl)amino]pyrrolidine-1,3-dicarboxylate

Systemtic Name: ditert-butyl (3S,4S)-4-[(phenylmethyl)amino]pyrrolidine-1,3-dicarboxylate Openeye Name: ditert-butyl (3S,4S)-4-(benzylamino)pyrrolidine-1,3-dicarboxylate CAS Name: (3S,4S)-4-[(phenylmethyl)amino]pyrrolidine-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (3S,4S)-4-(benzylamino)pyrrolidine-1,3-dicarboxylate Traditional Name: (3S,4S)-4-(benzylamino)pyrrolidine-1,3-dicarboxylic acid ditert-butyl ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(CC1NCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1CN(C[C@H]1NCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N2O4/c1-20(2,3)26-18(24)16-13-23(19(25)27-21(4,5)6)14-17(16)22-12-15-10-8-7-9-11-15/h7-11,16-17,22H,12-14H2,1-6H3/t16-,17+/m0/s1