tert-butyl (3S)-3-(phenylazanylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(phenylazanylmethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-(anilinomethyl)pyrrolidine-1-carboxylate CAS Name: (3S)-3-(anilinomethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(anilinomethyl)pyrrolidine-1-carboxylate Traditional Name: (3S)-3-(anilinomethyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)CNC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@H](C1)CNC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-13(12-18)11-17-14-7-5-4-6-8-14/h4-8,13,17H,9-12H2,1-3H3/t13-/m0/s1