cyclopentanecarbaldehyde; iron(2+); methyl (Z)-3-cyclopentyl-2-(phenylmethoxycarbonylamino)prop-2-enoate

Systemtic Name: cyclopentanecarbaldehyde; iron(2+); methyl (Z)-3-cyclopentyl-2-(phenylmethoxycarbonylamino)prop-2-enoate Openeye Name: ferrous; cyclopentanecarbaldehyde; methyl (Z)-2-(benzyloxycarbonylamino)-3-cyclopentyl-prop-2-enoate CAS Name: cyclopentanecarboxaldehyde; (Z)-3-cyclopentyl-2-(phenylmethoxycarbonylamino)-2-propenoic acid methyl ester; iron(2+) IUPAC Name: cyclopentanecarbaldehyde; iron(2+); methyl (Z)-3-cyclopentyl-2-(phenylmethoxycarbonylamino)prop-2-enoate Traditional Name: ferrous; (Z)-2-(benzyloxycarbonylamino)-3-cyclopentyl-acrylic acid methyl ester; cyclopentanecarbaldehyde Formula: C23H21FeNO5+2 MolecularWeight: 447.26154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16NO4.C6H5O.Fe/c1-21-16(19)15(11-13-7-5-6-8-13)18-17(20)22-12-14-9-3-2-4-10-14;7-5-6-3-1-2-4-6;/h2-11H,12H2,1H3,(H,18,20);1-5H;/q;;+2