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

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

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

Isomeric SMILES

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

InChI

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