cyclopentane; 3-methanidyl-6-methoxy-1-prop-2-enyl-3,4-dihydro-2H-indol-4-ide; zirconium(2+)

Systemtic Name: cyclopentane; 3-methanidyl-6-methoxy-1-prop-2-enyl-3,4-dihydro-2H-indol-4-ide; zirconium(2+) Openeye Name: 1-allyl-3-methanidyl-6-methoxy-indolin-4-ide; cyclopentane; zirconium(2+) CAS Name: cyclopentane; 3-methanidyl-6-methoxy-1-prop-2-enyl-3,4-dihydro-2H-indol-4-ide; zirconium(2+) IUPAC Name: cyclopentane; 3-methanidyl-6-methoxy-1-prop-2-enyl-3,4-dihydro-2H-indol-4-ide; zirconium(2+) Traditional Name: 1-allyl-3-methanidyl-6-methoxy-indolin-4-ide; cyclopentane; zirconium(2+) Formula: C23H25NOZr MolecularWeight: 422.6747

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C([C-]=C1)C(CN2CC=C)[CH2-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]

Isomeric SMILES

COC1=CC2=C([C-]=C1)C(CN2CC=C)[CH2-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]

InChI

InChI=1S/C13H15NO.2C5H5.Zr/c1-4-7-14-9-10(2)12-6-5-11(15-3)8-13(12)14;2*1-2-4-5-3-1;/h4-5,8,10H,1-2,7,9H2,3H3;2*1-5H;/q-2;;;+2