(8,9-dimethoxy-6-methyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzoxepin-7-yl) pyridine-4-carboxylate

Systemtic Name: (8,9-dimethoxy-6-methyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzoxepin-7-yl) pyridine-4-carboxylate Openeye Name: (8,9-dimethoxy-6-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzoxepin-7-yl) pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (8,9-dimethoxy-6-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzoxepin-7-yl) ester IUPAC Name: (8,9-dimethoxy-6-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzoxepin-7-yl) pyridine-4-carboxylate Traditional Name: isonicotinic acid (2-keto-8,9-dimethoxy-6-methyl-5-phenyl-4,5-dihydro-3H-1-benzoxepin-7-yl) ester Formula: C25H23NO6 MolecularWeight: 433.45322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(CCC(=O)OC2=C(C(=C1OC(=O)C3=CC=NC=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(CCC(=O)OC2=C(C(=C1OC(=O)C3=CC=NC=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO6/c1-15-20-18(16-7-5-4-6-8-16)9-10-19(27)31-22(20)24(30-3)23(29-2)21(15)32-25(28)17-11-13-26-14-12-17/h4-8,11-14,18H,9-10H2,1-3H3