3,5-bis(cyclopentylcarbamoylamino)benzoic acid; cyclopentane; iron(2+)

Systemtic Name: 3,5-bis(cyclopentylcarbamoylamino)benzoic acid; cyclopentane; iron(2+) Openeye Name: diferrous; 3,5-bis(cyclopentylcarbamoylamino)benzoic acid; cyclopentane CAS Name: 3,5-bis[[(cyclopentylamino)-oxomethyl]amino]benzoic acid; cyclopentane; iron(2+) IUPAC Name: 3,5-bis(cyclopentylcarbamoylamino)benzoic acid; cyclopentane; iron(2+) Traditional Name: diferrous; 3,5-bis(cyclopentylcarbamoylamino)benzoic acid; cyclopentane Formula: C29H26Fe2N4O4+4 MolecularWeight: 606.23114

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Descriptors Computed from Structure

Canonical SMILES:

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)NC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)N[C]3[CH][CH][CH][CH]3.[Fe+2].[Fe+2]

Isomeric SMILES

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)NC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)N[C]3[CH][CH][CH][CH]3.[Fe+2].[Fe+2]

InChI

InChI=1S/C19H16N4O4.2C5H5.2Fe/c24-17(25)12-9-15(22-18(26)20-13-5-1-2-6-13)11-16(10-12)23-19(27)21-14-7-3-4-8-14;2*1-2-4-5-3-1;;/h1-11H,(H,24,25)(H2,20,22,26)(H2,21,23,27);2*1-5H;;/q;;;2*+2