(phenylmethyl) N-[(2S)-1-oxidanylidene-1-(1-pyridin-4-ylethylamino)propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-(1-pyridin-4-ylethylamino)propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-methyl-2-oxo-2-[1-(4-pyridyl)ethylamino]ethyl]carbamate CAS Name: N-[(2S)-1-oxo-1-(1-pyridin-4-ylethylamino)propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-oxo-1-(1-pyridin-4-ylethylamino)propan-2-yl]carbamate Traditional Name: N-[(1S)-2-keto-1-methyl-2-[1-(4-pyridyl)ethylamino]ethyl]carbamic acid benzyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NC(=O)C(C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-13(16-8-10-19-11-9-16)20-17(22)14(2)21-18(23)24-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,20,22)(H,21,23)/t13?,14-/m0/s1