[[7-phenyl-7-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]heptanoyl]amino] 2-methylpropanoate

Systemtic Name: [[7-phenyl-7-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]heptanoyl]amino] 2-methylpropanoate Openeye Name: [[7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)heptanoyl]amino] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [[1-oxo-7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)heptyl]amino] ester IUPAC Name: [[7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoyl]amino] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [[7-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)-7-phenyl-heptanoyl]amino] ester Formula: C26H33NO5 MolecularWeight: 439.54392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)NOC(=O)C(C)C)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)NOC(=O)C(C)C)C2=CC=CC=C2)C

InChI

InChI=1S/C26H33NO5/c1-16(2)26(31)32-27-22(28)15-11-7-10-14-21(20-12-8-6-9-13-20)23-19(5)24(29)17(3)18(4)25(23)30/h6,8-9,12-13,16,21H,7,10-11,14-15H2,1-5H3,(H,27,28)