[2-methoxy-4-(4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] benzoate

Systemtic Name: [2-methoxy-4-(4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] benzoate Openeye Name: [2-methoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] benzoate CAS Name: benzoic acid [2-methoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] ester IUPAC Name: [2-methoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] benzoate Traditional Name: benzoic acid [4-(4-keto-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)-2-methoxy-phenyl] ester Formula: C31H25NO4 MolecularWeight: 475.5345

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54)OC(=O)C6=CC=CC=C6

Isomeric SMILES

COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H25NO4/c1-35-27-18-21(15-17-26(27)36-31(34)20-9-3-2-4-10-20)30-29-23(12-7-13-25(29)33)28-22-11-6-5-8-19(22)14-16-24(28)32-30/h2-6,8-11,14-18,30,32H,7,12-13H2,1H3