cyclopentane; ethyl 3-cyclopentyl-2-oxidanyl-5-pyrrolidin-1-yl-benzoate; iron(2+)

Systemtic Name: cyclopentane; ethyl 3-cyclopentyl-2-oxidanyl-5-pyrrolidin-1-yl-benzoate; iron(2+) Openeye Name: ferrous; cyclopentane; ethyl 3-cyclopentyl-2-hydroxy-5-pyrrolidin-1-yl-benzoate CAS Name: cyclopentane; 3-cyclopentyl-2-hydroxy-5-(1-pyrrolidinyl)benzoic acid ethyl ester; iron(2+) IUPAC Name: cyclopentane; ethyl 3-cyclopentyl-2-hydroxy-5-pyrrolidin-1-ylbenzoate; iron(2+) Traditional Name: ferrous; cyclopentane; 3-cyclopentyl-2-hydroxy-5-pyrrolidino-benzoic acid ethyl ester Formula: C23H25FeNO3+2 MolecularWeight: 419.2945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC(=C1)N2CCCC2)[C]3[CH][CH][CH][CH]3)O.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCOC(=O)C1=C(C(=CC(=C1)N2CCCC2)[C]3[CH][CH][CH][CH]3)O.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C18H20NO3.C5H5.Fe/c1-2-22-18(21)16-12-14(19-9-5-6-10-19)11-15(17(16)20)13-7-3-4-8-13;1-2-4-5-3-1;/h3-4,7-8,11-12,20H,2,5-6,9-10H2,1H3;1-5H;/q;;+2