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

Systemtic Name: 2-[[6'-[2-(octadecylcarbamoyloxy)ethyl-(phenylmethyl)amino]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]-(phenylmethyl)amino]ethyl N-octadecylcarbamate Openeye Name: 2-[benzyl-[6'-[benzyl-[2-(octadecylcarbamoyloxy)ethyl]amino]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl]amino]ethyl N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid 2-[[6'-[2-[(octadecylamino)-oxomethoxy]ethyl-(phenylmethyl)amino]-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl]-(phenylmethyl)amino]ethyl ester IUPAC Name: 2-[benzyl-[6'-[benzyl-[2-(octadecylcarbamoyloxy)ethyl]amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]amino]ethyl N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid 2-[benzyl-[6'-[benzyl-[2-(stearylcarbamoyloxy)ethyl]amino]-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl]amino]ethyl ester Formula: C76H108N4O7 MolecularWeight: 1189.69332

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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(CCOC(=O)NCCCCCCCCCCCCCCCCCC)CC6=CC=CC=C6)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(CCOC(=O)NCCCCCCCCCCCCCCCCCC)CC6=CC=CC=C6)C7=CC=CC=C7C(=O)O4

InChI

InChI=1S/C76H108N4O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-41-53-77-74(82)84-57-55-79(61-63-43-35-33-36-44-63)65-49-51-69-71(59-65)86-72-60-66(50-52-70(72)76(69)68-48-40-39-47-67(68)73(81)87-76)80(62-64-45-37-34-38-46-64)56-58-85-75(83)78-54-42-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-40,43-52,59-60H,3-32,41-42,53-58,61-62H2,1-2H3,(H,77,82)(H,78,83)