3-ethoxy-4-[methyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-ethoxy-4-[methyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-ethoxy-4-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]cyclobut-3-ene-1,2-dione CAS Name: 3-ethoxy-4-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-ethoxy-4-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-ethoxy-4-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]cyclobut-3-ene-1,2-quinone Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)C1=O)N(C)C(C)C(C2=CC=CC=C2)O

Isomeric SMILES

CCOC1=C(C(=O)C1=O)N(C)[C@@H](C)[C@@H](C2=CC=CC=C2)O

InChI

InChI=1S/C16H19NO4/c1-4-21-16-12(14(19)15(16)20)17(3)10(2)13(18)11-8-6-5-7-9-11/h5-10,13,18H,4H2,1-3H3/t10-,13-/m0/s1