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

Systemtic Name: [[7-phenyl-7-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]heptanoyl]amino] 3-methylbutanoate Openeye Name: [[7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)heptanoyl]amino] 3-methylbutanoate CAS Name: 3-methylbutanoic 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] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [[7-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)-7-phenyl-heptanoyl]amino] ester Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO5/c1-17(2)16-24(30)33-28-23(29)15-11-7-10-14-22(21-12-8-6-9-13-21)25-20(5)26(31)18(3)19(4)27(25)32/h6,8-9,12-13,17,22H,7,10-11,14-16H2,1-5H3,(H,28,29)