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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C3=C(C=CC4=CC=CC=C43)NC2C5=CC=C(C=C5)C(=O)OC)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C3=C(C=CC4=CC=CC=C43)NC2C5=CC=C(C=C5)C(=O)OC)C

InChI

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