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

Systemtic Name: (phenylmethyl) 2-[[7-phenyl-7-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]heptanoyl]amino]ethanoate Openeye Name: benzyl 2-[[7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)heptanoyl]amino]acetate CAS Name: 2-[[1-oxo-7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)heptyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoyl]amino]acetate Traditional Name: 2-[[7-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)-7-phenyl-heptanoyl]amino]acetic acid benzyl ester Formula: C31H35NO5 MolecularWeight: 501.6133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)NCC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)NCC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C31H35NO5/c1-21-22(2)31(36)29(23(3)30(21)35)26(25-15-9-5-10-16-25)17-11-6-12-18-27(33)32-19-28(34)37-20-24-13-7-4-8-14-24/h4-5,7-10,13-16,26H,6,11-12,17-20H2,1-3H3,(H,32,33)