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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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