2-[[6'-[ethenyl(ethyl)amino]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]-ethyl-amino]ethyl N-octadecylcarbamate

Systemtic Name: 2-[[6'-[ethenyl(ethyl)amino]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]-ethyl-amino]ethyl N-octadecylcarbamate Openeye Name: 2-[ethyl-[6'-[ethyl(vinyl)amino]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl]amino]ethyl N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid 2-[[6'-[ethenyl(ethyl)amino]-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl]-ethylamino]ethyl ester IUPAC Name: 2-[[6'-[ethenyl(ethyl)amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]-ethylamino]ethyl N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid 2-[ethyl-[6'-[ethyl(vinyl)amino]-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl]amino]ethyl ester Formula: C47H65N3O5 MolecularWeight: 752.0361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)C=C)C5=CC=CC=C5C(=O)O3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)C=C)C5=CC=CC=C5C(=O)O3

InChI

InChI=1S/C47H65N3O5/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-32-48-46(52)53-34-33-50(8-4)38-29-31-42-44(36-38)54-43-35-37(49(6-2)7-3)28-30-41(43)47(42)40-27-24-23-26-39(40)45(51)55-47/h6,23-24,26-31,35-36H,2,5,7-22,25,32-34H2,1,3-4H3,(H,48,52)