cyclopentane; iron(2+); methyl 3-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate

Systemtic Name: cyclopentane; iron(2+); methyl 3-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: ferrous; cyclopentane; methyl 3-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: cyclopentane; 3-[(1S)-1-(2-diphenylphosphinocyclopentyl)ethyl]-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylic acid methyl ester; iron(2+) IUPAC Name: cyclopentane; iron(2+); methyl 3-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: ferrous; cyclopentane; 3-[(1S)-1-(2-diphenylphosphinocyclopentyl)ethyl]-2,4,5,6-tetrahydro-1H-azepin[4,5-b]indole-5-carboxylic acid methyl ester Formula: C38H37FeN2O2P+2 MolecularWeight: 640.531341

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Descriptors Computed from Structure

Canonical SMILES:

CC([C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3)N4CCC5=C(C(C4)C(=O)OC)NC6=CC=CC=C56.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C[C@@H]([C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3)N4CCC5=C(C(C4)C(=O)OC)NC6=CC=CC=C56.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C33H32N2O2P.C5H5.Fe/c1-23(26-17-11-19-31(26)38(24-12-5-3-6-13-24)25-14-7-4-8-15-25)35-21-20-28-27-16-9-10-18-30(27)34-32(28)29(22-35)33(36)37-2;1-2-4-5-3-1;/h3-19,23,29,34H,20-22H2,1-2H3;1-5H;/q;;+2/t23-,29?;;/m0../s1