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

Systemtic Name: [2-methoxy-4-(4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] butanoate Openeye Name: [2-methoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] butanoate CAS Name: butanoic 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] butanoate Traditional Name: butyric acid [4-(4-keto-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)-2-methoxy-phenyl] ester Formula: C28H27NO4 MolecularWeight: 441.51828

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H27NO4/c1-3-7-25(31)33-23-15-13-18(16-24(23)32-2)28-27-20(10-6-11-22(27)30)26-19-9-5-4-8-17(19)12-14-21(26)29-28/h4-5,8-9,12-16,28-29H,3,6-7,10-11H2,1-2H3