tert-butyl (3S)-3-(phenylmethyl)-1,4-diazocane-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(phenylmethyl)-1,4-diazocane-1-carboxylate Openeye Name: tert-butyl (3S)-3-benzyl-1,4-diazocane-1-carboxylate CAS Name: (3S)-3-(phenylmethyl)-1,4-diazocane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-benzyl-1,4-diazocane-1-carboxylate Traditional Name: (3S)-3-benzyl-1,4-diazocane-1-carboxylic acid tert-butyl ester Formula: C18H28N2O2 MolecularWeight: 304.42712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCNC(C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCN[C@H](C1)CC2=CC=CC=C2

InChI

InChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-12-8-7-11-19-16(14-20)13-15-9-5-4-6-10-15/h4-6,9-10,16,19H,7-8,11-14H2,1-3H3/t16-/m0/s1