(5S)-2,2-dibutyl-5-(1H-indol-3-ylmethyl)-5H-1,3,6,2-benzodioxazastannonin-4-one

Systemtic Name: (5S)-2,2-dibutyl-5-(1H-indol-3-ylmethyl)-5H-1,3,6,2-benzodioxazastannonin-4-one Openeye Name: (5S)-2,2-dibutyl-5-(1H-indol-3-ylmethyl)-5H-1,3,6,2-benzodioxazastannonin-4-one CAS Name: (5S)-2,2-dibutyl-5-(1H-indol-3-ylmethyl)-5H-1,3,6,2-benzodioxazastannonin-4-one IUPAC Name: (5S)-2,2-dibutyl-5-(1H-indol-3-ylmethyl)-5H-1,3,6,2-benzodioxazastannonin-4-one Traditional Name: (4S)-7,7-dibutyl-4-(1H-indol-3-ylmethyl)-6,8-dioxa-3-aza-7-stannabicyclo[7.4.0]trideca-1(13),2,9,11-tetraen-5-one Formula: C26H32N2O3Sn MolecularWeight: 539.25388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn]1(OC2=CC=CC=C2C=NC(C(=O)O1)CC3=CNC4=CC=CC=C43)CCCC

Isomeric SMILES

CCCC[Sn]1(OC2=CC=CC=C2C=N[C@H](C(=O)O1)CC3=CNC4=CC=CC=C43)CCCC

InChI

InChI=1S/C18H16N2O3.2C4H9.Sn/c21-17-8-4-1-5-12(17)10-20-16(18(22)23)9-13-11-19-15-7-3-2-6-14(13)15;2*1-3-4-2;/h1-8,10-11,16,19,21H,9H2,(H,22,23);2*1,3-4H2,2H3;/q;;;+2/p-2/t16-;;;/m0.../s1