4-[bis[6-[(1S)-2,2-dimethyl-1-oxidanyl-propyl]pyridin-2-yl]-methoxy-methyl]phenol

Systemtic Name: 4-[bis[6-[(1S)-2,2-dimethyl-1-oxidanyl-propyl]pyridin-2-yl]-methoxy-methyl]phenol Openeye Name: 4-[bis[6-[(1S)-1-hydroxy-2,2-dimethyl-propyl]-2-pyridyl]-methoxy-methyl]phenol CAS Name: 4-[bis[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-methoxymethyl]phenol IUPAC Name: 4-[bis[6-[(1S)-1-hydroxy-2,2-dimethylpropyl]pyridin-2-yl]-methoxymethyl]phenol Traditional Name: 4-[bis[6-[(1S)-1-hydroxy-2,2-dimethyl-propyl]-2-pyridyl]-methoxy-methyl]phenol Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=NC(=CC=C1)C(C2=CC=C(C=C2)O)(C3=CC=CC(=N3)C(C(C)(C)C)O)OC)O

Isomeric SMILES

CC(C)(C)[C@@H](C1=NC(=CC=C1)C(C2=CC=C(C=C2)O)(C3=CC=CC(=N3)[C@H](C(C)(C)C)O)OC)O

InChI

InChI=1S/C28H36N2O4/c1-26(2,3)24(32)20-10-8-12-22(29-20)28(34-7,18-14-16-19(31)17-15-18)23-13-9-11-21(30-23)25(33)27(4,5)6/h8-17,24-25,31-33H,1-7H3/t24-,25-/m1/s1