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

Systemtic Name: [2-ethoxy-4-(4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] butanoate Openeye Name: [2-ethoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] butanoate CAS Name: butanoic 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] butanoate Traditional Name: butyric acid [2-ethoxy-4-(4-keto-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] ester Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54)OCC

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54)OCC

InChI

InChI=1S/C29H29NO4/c1-3-8-26(32)34-24-16-14-19(17-25(24)33-4-2)29-28-21(11-7-12-23(28)31)27-20-10-6-5-9-18(20)13-15-22(27)30-29/h5-6,9-10,13-17,29-30H,3-4,7-8,11-12H2,1-2H3