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

Systemtic Name: 3,4-bis[methyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3,4-bis[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]cyclobut-3-ene-1,2-dione CAS Name: 3,4-bis[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3,4-bis[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3,4-bis[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]cyclobut-3-ene-1,2-quinone Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)N(C)C2=C(C(=O)C2=O)N(C)C(C)C(C3=CC=CC=C3)O

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)C2=C(C(=O)C2=O)N(C)[C@@H](C)[C@@H](C3=CC=CC=C3)O

InChI

InChI=1S/C24H28N2O4/c1-15(21(27)17-11-7-5-8-12-17)25(3)19-20(24(30)23(19)29)26(4)16(2)22(28)18-13-9-6-10-14-18/h5-16,21-22,27-28H,1-4H3/t15-,16-,21-,22-/m0/s1