(1S,2R)-2-(cyclopentylmethylamino)-1-phenyl-propan-1-olate; iron(2+)

Systemtic Name: (1S,2R)-2-(cyclopentylmethylamino)-1-phenyl-propan-1-olate; iron(2+) Openeye Name: ferrous (1S,2R)-2-(cyclopentylmethylamino)-1-phenyl-propan-1-olate CAS Name: (1S,2R)-2-(cyclopentylmethylamino)-1-phenyl-1-propanolate; iron(2+) IUPAC Name: (1S,2R)-2-(cyclopentylmethylamino)-1-phenylpropan-1-olate; iron(2+) Traditional Name: ferrous (1S,2R)-2-(cyclopentylmethylamino)-1-phenyl-propan-1-olate Formula: C30H34FeN2O2 MolecularWeight: 510.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[O-])NC[C]2[CH][CH][CH][CH]2.CC(C(C1=CC=CC=C1)[O-])NC[C]2[CH][CH][CH][CH]2.[Fe+2]

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)[O-])NC[C]2[CH][CH][CH][CH]2.C[C@H]([C@H](C1=CC=CC=C1)[O-])NC[C]2[CH][CH][CH][CH]2.[Fe+2]

InChI

InChI=1S/2C15H17NO.Fe/c2*1-12(16-11-13-7-5-6-8-13)15(17)14-9-3-2-4-10-14;/h2*2-10,12,15-16H,11H2,1H3;/q2*-1;+2/t2*12-,15-;/m11./s1