5-(2-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one

Systemtic Name: 5-(2-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Openeye Name: 5-(2-bromo-5-ethoxy-4-hydroxy-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one CAS Name: 5-(2-bromo-5-ethoxy-4-hydroxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one IUPAC Name: 5-(2-bromo-5-ethoxy-4-hydroxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Traditional Name: 5-(2-bromo-5-ethoxy-4-hydroxy-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Formula: C27H26BrNO3 MolecularWeight: 492.40424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)Br)O

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)Br)O

InChI

InChI=1S/C27H26BrNO3/c1-4-32-23-11-17(19(28)12-21(23)30)26-25-18(13-27(2,3)14-22(25)31)24-16-8-6-5-7-15(16)9-10-20(24)29-26/h5-12,26,29-30H,4,13-14H2,1-3H3