hexadecyl 3-[4-(diethylamino)-2-ethoxy-phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)-1-oxidanylidene-2-benzofuran-5-carboxylate

Systemtic Name: hexadecyl 3-[4-(diethylamino)-2-ethoxy-phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)-1-oxidanylidene-2-benzofuran-5-carboxylate Openeye Name: hexadecyl 3-[4-(diethylamino)-2-ethoxy-phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)-1-oxo-isobenzofuran-5-carboxylate CAS Name: 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-3-indolyl)-1-oxo-5-isobenzofurancarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methylindol-3-yl)-1-oxo-2-benzofuran-5-carboxylate Traditional Name: 3-[4-(diethylamino)-2-ethoxy-phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)-1-keto-phthalan-5-carboxylic acid cetyl ester Formula: C48H66N2O5 MolecularWeight: 751.04804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)OC2(C3=C(C=C(C=C3)N(CC)CC)OCC)C4=C(N(C5=CC=CC=C54)CC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)OC2(C3=C(C=C(C=C3)N(CC)CC)OCC)C4=C(N(C5=CC=CC=C54)CC)C

InChI

InChI=1S/C48H66N2O5/c1-7-12-13-14-15-16-17-18-19-20-21-22-23-26-33-54-46(51)37-29-31-39-42(34-37)48(55-47(39)52,45-36(6)50(10-4)43-28-25-24-27-40(43)45)41-32-30-38(49(8-2)9-3)35-44(41)53-11-5/h24-25,27-32,34-35H,7-23,26,33H2,1-6H3