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2-[9-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]-1,8-diketo-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[9-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]-1,8-diketo-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
SpectraBase Compound ID Evh56n5sj1j
InChI InChI=1S/C33H36ClNO6/c1-32(2)13-22-30(24(36)15-32)29(31-23(35(22)17-28(38)39)14-33(3,4)16-25(31)37)20-8-11-26(27(12-20)40-5)41-18-19-6-9-21(34)10-7-19/h6-12,29H,13-18H2,1-5H3,(H,38,39)
InChIKey OTGDVLVINXPEHH-UHFFFAOYSA-N
Mol Weight 578.1 g/mol
Molecular Formula C33H36ClNO6
Exact Mass 577.223116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eWmWRGW3hG
Name 2-[9-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]-1,8-diketo-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
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Formula C33H36ClNO6
InChI InChI=1S/C33H36ClNO6/c1-32(2)13-22-30(24(36)15-32)29(31-23(35(22)17-28(38)39)14-33(3,4)16-25(31)37)20-8-11-26(27(12-20)40-5)41-18-19-6-9-21(34)10-7-19/h6-12,29H,13-18H2,1-5H3,(H,38,39)
InChIKey OTGDVLVINXPEHH-UHFFFAOYSA-N
Molecular Weight 578.105 g/mol
SMILES OC(CN1C2=C(C(C3=C1CC(CC3=O)(C)C)c1cc(OC)c(cc1)OCc1ccc(cc1)Cl)C(CC(C)(C)C2)=O)=O
SPLASH splash10-004i-5932200000-8b552268b0741b93b393
Synonyms 2-[9-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-3,3,6,6-tetramethyl-1,8-bis(oxidanylidene)-4,5,7,9-tetrahydro-2H-acridin-10-yl]ethanoic acid 2-[9-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
Wiley ID 1462124