3-[2,3-ditert-butyl-1-ethoxy-1-(1,3-oxazol-4-yl)-3,4-dihydroisoquinolin-4-yl]phenol

Systemtic Name: 3-[2,3-ditert-butyl-1-ethoxy-1-(1,3-oxazol-4-yl)-3,4-dihydroisoquinolin-4-yl]phenol Openeye Name: 3-(2,3-ditert-butyl-1-ethoxy-1-oxazol-4-yl-3,4-dihydroisoquinolin-4-yl)phenol CAS Name: 3-[2,3-ditert-butyl-1-ethoxy-1-(4-oxazolyl)-3,4-dihydroisoquinolin-4-yl]phenol IUPAC Name: 3-[2,3-ditert-butyl-1-ethoxy-1-(1,3-oxazol-4-yl)-3,4-dihydroisoquinolin-4-yl]phenol Traditional Name: 3-(2,3-ditert-butyl-1-ethoxy-1-oxazol-4-yl-3,4-dihydroisoquinolin-4-yl)phenol Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2=CC=CC=C2C(C(N1C(C)(C)C)C(C)(C)C)C3=CC(=CC=C3)O)C4=COC=N4

Isomeric SMILES

CCOC1(C2=CC=CC=C2C(C(N1C(C)(C)C)C(C)(C)C)C3=CC(=CC=C3)O)C4=COC=N4

InChI

InChI=1S/C28H36N2O3/c1-8-33-28(23-17-32-18-29-23)22-15-10-9-14-21(22)24(19-12-11-13-20(31)16-19)25(26(2,3)4)30(28)27(5,6)7/h9-18,24-25,31H,8H2,1-7H3