methyl 4-(2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzoate

Systemtic Name: methyl 4-(2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzoate Openeye Name: methyl 4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzoate CAS Name: 4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzoate Traditional Name: 4-(4-keto-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzoic acid methyl ester Formula: C27H25NO3 MolecularWeight: 411.4923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)C(=O)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)C(=O)OC)C(=O)C1)C

InChI

InChI=1S/C27H25NO3/c1-27(2)14-20-23-19-7-5-4-6-16(19)12-13-21(23)28-25(24(20)22(29)15-27)17-8-10-18(11-9-17)26(30)31-3/h4-13,25,28H,14-15H2,1-3H3