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

Systemtic Name: 5-(3-ethoxy-5-iodanyl-4-methoxy-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Openeye Name: 5-(3-ethoxy-5-iodo-4-methoxy-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one CAS Name: 5-(3-ethoxy-5-iodo-4-methoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one IUPAC Name: 5-(3-ethoxy-5-iodo-4-methoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Traditional Name: 5-(3-ethoxy-5-iodo-4-methoxy-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Formula: C28H28INO3 MolecularWeight: 553.43129

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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)I)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H28INO3/c1-5-33-23-13-17(12-20(29)27(23)32-4)26-25-19(14-28(2,3)15-22(25)31)24-18-9-7-6-8-16(18)10-11-21(24)30-26/h6-13,26,30H,5,14-15H2,1-4H3