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

Systemtic Name: [2-ethoxy-4-(4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] ethanoate Openeye Name: [2-ethoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] acetate CAS Name: acetic acid [2-ethoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] ester IUPAC Name: [2-ethoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] acetate Traditional Name: acetic acid [2-ethoxy-4-(4-keto-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] ester Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54)OC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54)OC(=O)C

InChI

InChI=1S/C27H25NO4/c1-3-31-24-15-18(12-14-23(24)32-16(2)29)27-26-20(9-6-10-22(26)30)25-19-8-5-4-7-17(19)11-13-21(25)28-27/h4-5,7-8,11-15,27-28H,3,6,9-10H2,1-2H3