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

Systemtic Name: 2-ethoxycarbonyl-N-methyl-3-pentan-3-yl-6-(3-phenylpropoxy)inden-1-imine oxide Openeye Name: 2-ethoxycarbonyl-3-(1-ethylpropyl)-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide CAS Name: 2-ethoxycarbonyl-N-methyl-3-pentan-3-yl-6-(3-phenylpropoxy)-1-indenimine oxide IUPAC Name: 2-ethoxycarbonyl-N-methyl-3-pentan-3-yl-6-(3-phenylpropoxy)inden-1-imine oxide Traditional Name: 2-carbethoxy-3-(1-ethylpropyl)-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C(C(=[N+](C)[O-])C2=C1C=CC(=C2)OCCCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(CC)C1=C(/C(=[N+](\C)/[O-])/C2=C1C=CC(=C2)OCCCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C27H33NO4/c1-5-20(6-2)24-22-16-15-21(32-17-11-14-19-12-9-8-10-13-19)18-23(22)26(28(4)30)25(24)27(29)31-7-3/h8-10,12-13,15-16,18,20H,5-7,11,14,17H2,1-4H3/b28-26+