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

Systemtic Name: 2-[[6'-[ethenyl-(phenylmethyl)amino]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]-(phenylmethyl)amino]ethyl N-octadecylcarbamate Openeye Name: 2-[benzyl-[6'-[benzyl(vinyl)amino]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl]amino]ethyl N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid 2-[[6'-[ethenyl-(phenylmethyl)amino]-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl]-(phenylmethyl)amino]ethyl ester IUPAC Name: 2-[benzyl-[6'-[benzyl(ethenyl)amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]amino]ethyl N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid 2-[benzyl-[6'-[benzyl(vinyl)amino]-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl]amino]ethyl ester Formula: C57H69N3O5 MolecularWeight: 876.17486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCCN(CC1=CC=CC=C1)C2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)N(CC6=CC=CC=C6)C=C)C7=CC=CC=C7C(=O)O4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCCN(CC1=CC=CC=C1)C2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)N(CC6=CC=CC=C6)C=C)C7=CC=CC=C7C(=O)O4

InChI

InChI=1S/C57H69N3O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-38-58-56(62)63-40-39-60(44-46-30-23-20-24-31-46)48-35-37-52-54(42-48)64-53-41-47(59(4-2)43-45-28-21-19-22-29-45)34-36-51(53)57(52)50-33-26-25-32-49(50)55(61)65-57/h4,19-26,28-37,41-42H,2-3,5-18,27,38-40,43-44H2,1H3,(H,58,62)