3,6-bis[[methyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]methyl]benzene-1,2-diol

Systemtic Name: 3,6-bis[[methyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]methyl]benzene-1,2-diol Openeye Name: 3,6-bis[[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]methyl]benzene-1,2-diol CAS Name: 3,6-bis[[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]methyl]benzene-1,2-diol IUPAC Name: 3,6-bis[[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]methyl]benzene-1,2-diol Traditional Name: 3,6-bis[[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]methyl]pyrocatechol Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)N(C)CC2=C(C(=C(C=C2)CN(C)C(C)C(C3=CC=CC=C3)O)O)O

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)CC2=C(C(=C(C=C2)CN(C)[C@@H](C)[C@@H](C3=CC=CC=C3)O)O)O

InChI

InChI=1S/C28H36N2O4/c1-19(25(31)21-11-7-5-8-12-21)29(3)17-23-15-16-24(28(34)27(23)33)18-30(4)20(2)26(32)22-13-9-6-10-14-22/h5-16,19-20,25-26,31-34H,17-18H2,1-4H3/t19-,20-,25-,26-/m0/s1