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

Systemtic Name: [2-ethoxy-4-(4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] 2-methylpropanoate Openeye Name: [2-ethoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic 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] 2-methylpropanoate Traditional Name: 2-methylpropionic 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:

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

Isomeric SMILES

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

InChI

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