cyclopentane; ethyl 4-cyclopentyl-2-[(phenylmethyl)-prop-2-enyl-amino]but-3-ynoate; iron(2+)

Systemtic Name: cyclopentane; ethyl 4-cyclopentyl-2-[(phenylmethyl)-prop-2-enyl-amino]but-3-ynoate; iron(2+) Openeye Name: ferrous; cyclopentane; ethyl 2-[allyl(benzyl)amino]-4-cyclopentyl-but-3-ynoate CAS Name: cyclopentane; 4-cyclopentyl-2-[(phenylmethyl)-prop-2-enylamino]-3-butynoic acid ethyl ester; iron(2+) IUPAC Name: cyclopentane; ethyl 2-[benzyl(prop-2-enyl)amino]-4-cyclopentylbut-3-ynoate; iron(2+) Traditional Name: ferrous; 2-[allyl(benzyl)amino]-4-cyclopentyl-but-3-ynoic acid ethyl ester; cyclopentane Formula: C26H27FeNO2+2 MolecularWeight: 441.34308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#C[C]1[CH][CH][CH][CH]1)N(CC=C)CC2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCOC(=O)C(C#C[C]1[CH][CH][CH][CH]1)N(CC=C)CC2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C21H22NO2.C5H5.Fe/c1-3-16-22(17-19-12-6-5-7-13-19)20(21(23)24-4-2)15-14-18-10-8-9-11-18;1-2-4-5-3-1;/h3,5-13,20H,1,4,16-17H2,2H3;1-5H;/q;;+2