cyclopentane; N-(cyclopentylmethyl)-N-[(2S)-1-phenylbut-3-en-2-yl]but-3-enamide; iron(2+)

Systemtic Name: cyclopentane; N-(cyclopentylmethyl)-N-[(2S)-1-phenylbut-3-en-2-yl]but-3-enamide; iron(2+) Openeye Name: ferrous; N-[(1S)-1-benzylallyl]-N-(cyclopentylmethyl)but-3-enamide; cyclopentane CAS Name: cyclopentane; N-(cyclopentylmethyl)-N-[(2S)-1-phenylbut-3-en-2-yl]-3-butenamide; iron(2+) IUPAC Name: cyclopentane; N-(cyclopentylmethyl)-N-[(2S)-1-phenylbut-3-en-2-yl]but-3-enamide; iron(2+) Traditional Name: ferrous; N-[(1S)-1-benzylallyl]-N-(cyclopentylmethyl)but-3-enamide; cyclopentane Formula: C25H27FeNO+2 MolecularWeight: 413.33298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=CCC(=O)N(C[C]1[CH][CH][CH][CH]1)[C@@H](CC2=CC=CC=C2)C=C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C20H22NO.C5H5.Fe/c1-3-10-20(22)21(16-18-13-8-9-14-18)19(4-2)15-17-11-6-5-7-12-17;1-2-4-5-3-1;/h3-9,11-14,19H,1-2,10,15-16H2;1-5H;/q;;+2/t19-;;/m1../s1