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

Systemtic Name: 1-[7-phenyl-7-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]heptanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)heptanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-oxo-7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)heptyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[7-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)-7-phenyl-heptanoyl]proline Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)N2CCCC2C(=O)O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)N2CCCC2C(=O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C27H33NO5/c1-17-18(2)26(31)24(19(3)25(17)30)21(20-11-6-4-7-12-20)13-8-5-9-15-23(29)28-16-10-14-22(28)27(32)33/h4,6-7,11-12,21-22H,5,8-10,13-16H2,1-3H3,(H,32,33)