6-[2-(1-adamantyl)ethoxy]-2-ethoxycarbonyl-N-methyl-3-phenyl-inden-1-imine oxide

Systemtic Name: 6-[2-(1-adamantyl)ethoxy]-2-ethoxycarbonyl-N-methyl-3-phenyl-inden-1-imine oxide Openeye Name: 6-[2-(1-adamantyl)ethoxy]-2-ethoxycarbonyl-N-methyl-3-phenyl-inden-1-imine oxide CAS Name: 6-[2-(1-adamantyl)ethoxy]-2-ethoxycarbonyl-N-methyl-3-phenyl-1-indenimine oxide IUPAC Name: 6-[2-(1-adamantyl)ethoxy]-2-ethoxycarbonyl-N-methyl-3-phenylinden-1-imine oxide Traditional Name: 6-[2-(1-adamantyl)ethoxy]-2-carbethoxy-N-methyl-3-phenyl-inden-1-imine oxide Formula: C31H35NO4 MolecularWeight: 485.6139

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C1=[N+](C)[O-])C=C(C=C2)OCCC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C\1=C(C2=C(/C1=[N+](/C)\[O-])C=C(C=C2)OCCC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C31H35NO4/c1-3-35-30(33)28-27(23-7-5-4-6-8-23)25-10-9-24(16-26(25)29(28)32(2)34)36-12-11-31-17-20-13-21(18-31)15-22(14-20)19-31/h4-10,16,20-22H,3,11-15,17-19H2,1-2H3/b32-29+