N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-2-phenethyl-1,3-benzoxazole-5-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-2-phenethyl-1,3-benzoxazole-5-carboxamide Openeye Name: N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide CAS Name: N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenethyl-1,3-benzoxazole-5-carboxamide IUPAC Name: N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenethyl-1,3-benzoxazole-5-carboxamide Traditional Name: N-[(1S)-2-amino-2-keto-1-methyl-ethyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C1=CC2=C(C=C1)OC(=N2)CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N)NC(=O)C1=CC2=C(C=C1)OC(=N2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3/c1-12(18(20)23)21-19(24)14-8-9-16-15(11-14)22-17(25-16)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H2,20,23)(H,21,24)/t12-/m0/s1