cyclopentane; ethyl 2-azanyl-6-cyclopentyl-4-(3,4-dimethoxyphenyl)pyridine-3-carboxylate; iron(2+)

Systemtic Name: cyclopentane; ethyl 2-azanyl-6-cyclopentyl-4-(3,4-dimethoxyphenyl)pyridine-3-carboxylate; iron(2+) Openeye Name: ferrous; cyclopentane; ethyl 2-amino-6-cyclopentyl-4-(3,4-dimethoxyphenyl)pyridine-3-carboxylate CAS Name: 2-amino-6-cyclopentyl-4-(3,4-dimethoxyphenyl)-3-pyridinecarboxylic acid ethyl ester; cyclopentane; iron(2+) IUPAC Name: cyclopentane; ethyl 2-amino-6-cyclopentyl-4-(3,4-dimethoxyphenyl)pyridine-3-carboxylate; iron(2+) Traditional Name: ferrous; 2-amino-6-cyclopentyl-4-(3,4-dimethoxyphenyl)nicotinic acid ethyl ester; cyclopentane Formula: C26H26FeN2O4+2 MolecularWeight: 486.34064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1C2=CC(=C(C=C2)OC)OC)[C]3[CH][CH][CH][CH]3)N.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1C2=CC(=C(C=C2)OC)OC)[C]3[CH][CH][CH][CH]3)N.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C21H21N2O4.C5H5.Fe/c1-4-27-21(24)19-15(14-9-10-17(25-2)18(11-14)26-3)12-16(23-20(19)22)13-7-5-6-8-13;1-2-4-5-3-1;/h5-12H,4H2,1-3H3,(H2,22,23);1-5H;/q;;+2