9-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-10-phenethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

Systemtic Name: 9-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-10-phenethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione Openeye Name: 9-(3-bromo-4-hydroxy-5-methoxy-phenyl)-10-phenethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione CAS Name: 9-(3-bromo-4-hydroxy-5-methoxyphenyl)-10-phenethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione IUPAC Name: 9-(3-bromo-4-hydroxy-5-methoxyphenyl)-10-phenethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione Traditional Name: 9-(3-bromo-4-hydroxy-5-methoxy-phenyl)-10-phenethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-quinone Formula: C28H28BrNO4 MolecularWeight: 522.43022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)CCC5=CC=CC=C5)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)CCC5=CC=CC=C5)Br)O

InChI

InChI=1S/C28H28BrNO4/c1-34-24-16-18(15-19(29)28(24)33)25-26-20(9-5-11-22(26)31)30(14-13-17-7-3-2-4-8-17)21-10-6-12-23(32)27(21)25/h2-4,7-8,15-16,25,33H,5-6,9-14H2,1H3