(phenylmethyl) N-[(2S)-1-imidazol-1-yl-3-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-imidazol-1-yl-3-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(imidazole-1-carbonyl)-2-methyl-butyl]carbamate CAS Name: N-[(2S)-1-(1-imidazolyl)-3-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-imidazol-1-yl-3-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-(imidazole-1-carbonyl)-2-methyl-butyl]carbamic acid benzyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1C=CN=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C)[C@@H](C(=O)N1C=CN=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O3/c1-3-13(2)15(16(21)20-10-9-18-12-20)19-17(22)23-11-14-7-5-4-6-8-14/h4-10,12-13,15H,3,11H2,1-2H3,(H,19,22)/t13?,15-/m0/s1