tert-butyl (2S)-2-(hydroxymethyl)-4-naphthalen-1-ylcarbonyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(hydroxymethyl)-4-naphthalen-1-ylcarbonyl-piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-2-(hydroxymethyl)-4-(naphthalene-1-carbonyl)piperazine-1-carboxylate CAS Name: (2S)-2-(hydroxymethyl)-4-[1-naphthalenyl(oxo)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(hydroxymethyl)-4-(naphthalene-1-carbonyl)piperazine-1-carboxylate Traditional Name: (2S)-2-methylol-4-(1-naphthoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CO)C(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C[C@H]1CO)C(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H26N2O4/c1-21(2,3)27-20(26)23-12-11-22(13-16(23)14-24)19(25)18-10-6-8-15-7-4-5-9-17(15)18/h4-10,16,24H,11-14H2,1-3H3/t16-/m0/s1