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

Systemtic Name: 3-[methyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]-4-(3-oxidanylpropylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]-4-(3-hydroxypropylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-4-(3-hydroxypropylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-4-(3-hydroxypropylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]-4-(3-hydroxypropylamino)cyclobut-3-ene-1,2-quinone Formula: C17H22N2O4 MolecularWeight: 318.36758

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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)NCCCO

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-11(15(21)12-7-4-3-5-8-12)19(2)14-13(16(22)17(14)23)18-9-6-10-20/h3-5,7-8,11,15,18,20-21H,6,9-10H2,1-2H3/t11-,15-/m0/s1