methyl 7-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-7-(2-phenanthridin-6-ylhydrazinyl)heptanoate

Systemtic Name: methyl 7-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-7-(2-phenanthridin-6-ylhydrazinyl)heptanoate Openeye Name: methyl 7-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-7-(2-phenanthridin-6-ylhydrazino)heptanoate CAS Name: 7-(4,4-dimethyl-2,6-dioxocyclohexylidene)-7-(6-phenanthridinylhydrazo)heptanoic acid methyl ester IUPAC Name: methyl 7-(4,4-dimethyl-2,6-dioxocyclohexylidene)-7-(2-phenanthridin-6-ylhydrazinyl)heptanoate Traditional Name: 7-(2,6-diketo-4,4-dimethyl-cyclohexylidene)-7-(N'-phenanthridin-6-ylhydrazino)enanthic acid methyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C(CCCCCC(=O)OC)NNC2=NC3=CC=CC=C3C4=CC=CC=C42)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=C(CCCCCC(=O)OC)NNC2=NC3=CC=CC=C3C4=CC=CC=C42)C(=O)C1)C

InChI

InChI=1S/C29H33N3O4/c1-29(2)17-24(33)27(25(34)18-29)23(15-5-4-6-16-26(35)36-3)31-32-28-21-13-8-7-11-19(21)20-12-9-10-14-22(20)30-28/h7-14,31H,4-6,15-18H2,1-3H3,(H,30,32)