2-ethoxycarbonyl-N-methyl-3-(3-methylphenyl)-6-(3-phenylpropoxy)inden-1-imine oxide

Systemtic Name: 2-ethoxycarbonyl-N-methyl-3-(3-methylphenyl)-6-(3-phenylpropoxy)inden-1-imine oxide Openeye Name: 2-ethoxycarbonyl-N-methyl-3-(m-tolyl)-6-(3-phenylpropoxy)inden-1-imine oxide CAS Name: 2-ethoxycarbonyl-N-methyl-3-(3-methylphenyl)-6-(3-phenylpropoxy)-1-indenimine oxide IUPAC Name: 2-ethoxycarbonyl-N-methyl-3-(3-methylphenyl)-6-(3-phenylpropoxy)inden-1-imine oxide Traditional Name: 2-carbethoxy-N-methyl-3-(m-tolyl)-6-(3-phenylpropoxy)inden-1-imine oxide Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C1=[N+](C)[O-])C=C(C=C2)OCCCC3=CC=CC=C3)C4=CC(=CC=C4)C

Isomeric SMILES

CCOC(=O)C\1=C(C2=C(/C1=[N+](/C)\[O-])C=C(C=C2)OCCCC3=CC=CC=C3)C4=CC(=CC=C4)C

InChI

InChI=1S/C29H29NO4/c1-4-33-29(31)27-26(22-14-8-10-20(2)18-22)24-16-15-23(19-25(24)28(27)30(3)32)34-17-9-13-21-11-6-5-7-12-21/h5-8,10-12,14-16,18-19H,4,9,13,17H2,1-3H3/b30-28+