[4-(11,11-dimethyl-9-oxidanylidene-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-8-yl)-2-methoxy-phenyl] ethanoate

Systemtic Name: [4-(11,11-dimethyl-9-oxidanylidene-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-8-yl)-2-methoxy-phenyl] ethanoate Openeye Name: [4-(11,11-dimethyl-9-oxo-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-8-yl)-2-methoxy-phenyl] acetate CAS Name: acetic acid [4-(11,11-dimethyl-9-oxo-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-8-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(11,11-dimethyl-9-oxo-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-8-yl)-2-methoxyphenyl] acetate Traditional Name: acetic acid [4-(9-keto-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-8-yl)-2-methoxy-phenyl] ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=C4C=CC=N5)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=C4C=CC=N5)OC

InChI

InChI=1S/C27H26N2O4/c1-15(30)33-22-10-7-16(12-23(22)32-4)26-25-18(13-27(2,3)14-21(25)31)24-17-6-5-11-28-19(17)8-9-20(24)29-26/h5-12,26,29H,13-14H2,1-4H3