N-methyl-3-phenyl-2-propan-2-yloxycarbonyl-6-(2-pyridin-2-ylethoxy)inden-1-imine oxide

Systemtic Name: N-methyl-3-phenyl-2-propan-2-yloxycarbonyl-6-(2-pyridin-2-ylethoxy)inden-1-imine oxide Openeye Name: 2-isopropoxycarbonyl-N-methyl-3-phenyl-6-[2-(2-pyridyl)ethoxy]inden-1-imine oxide CAS Name: N-methyl-2-[oxo(propan-2-yloxy)methyl]-3-phenyl-6-[2-(2-pyridinyl)ethoxy]-1-indenimine oxide IUPAC Name: N-methyl-3-phenyl-2-propan-2-yloxycarbonyl-6-(2-pyridin-2-ylethoxy)inden-1-imine oxide Traditional Name: 2-isopropoxycarbonyl-N-methyl-3-phenyl-6-[2-(2-pyridyl)ethoxy]inden-1-imine oxide Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C2=C(C1=[N+](C)[O-])C=C(C=C2)OCCC3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=O)C\1=C(C2=C(/C1=[N+](/C)\[O-])C=C(C=C2)OCCC3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4/c1-18(2)33-27(30)25-24(19-9-5-4-6-10-19)22-13-12-21(17-23(22)26(25)29(3)31)32-16-14-20-11-7-8-15-28-20/h4-13,15,17-18H,14,16H2,1-3H3/b29-26+