iron(2+); (phenylmethyl) (Z)-3-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate

Systemtic Name: iron(2+); (phenylmethyl) (Z)-3-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate Openeye Name: ferrous benzyl (Z)-2-(tert-butoxycarbonylamino)-3-cyclopentyl-prop-2-enoate CAS Name: (Z)-3-cyclopentyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-propenoic acid (phenylmethyl) ester; iron(2+) IUPAC Name: benzyl (Z)-3-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate; iron(2+) Traditional Name: ferrous (Z)-2-(tert-butoxycarbonylamino)-3-cyclopentyl-acrylic acid benzyl ester Formula: C40H44FeN2O8+2 MolecularWeight: 736.63096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=C[C]1[CH][CH][CH][CH]1)C(=O)OCC2=CC=CC=C2.CC(C)(C)OC(=O)NC(=C[C]1[CH][CH][CH][CH]1)C(=O)OCC2=CC=CC=C2.[Fe+2]

Isomeric SMILES

CC(OC(=O)N/C(=C\[C]1[CH][CH][CH][CH]1)/C(=O)OCC2=CC=CC=C2)(C)C.CC(OC(=O)N/C(=C\[C]1[CH][CH][CH][CH]1)/C(=O)OCC2=CC=CC=C2)(C)C.[Fe+2]

InChI

InChI=1S/2C20H22NO4.Fe/c2*1-20(2,3)25-19(23)21-17(13-15-9-7-8-10-15)18(22)24-14-16-11-5-4-6-12-16;/h2*4-13H,14H2,1-3H3,(H,21,23);/q;;+2