dimethyl 4-oxidanylidene-3-[4-oxidanylidene-4-(phenethylamino)butanoyl]heptanedioate

Systemtic Name: dimethyl 4-oxidanylidene-3-[4-oxidanylidene-4-(phenethylamino)butanoyl]heptanedioate Openeye Name: dimethyl 4-oxo-3-[4-oxo-4-(phenethylamino)butanoyl]heptanedioate CAS Name: 3-[1,4-dioxo-4-(phenethylamino)butyl]-4-oxoheptanedioic acid dimethyl ester IUPAC Name: dimethyl 4-oxo-3-[4-oxo-4-(phenethylamino)butanoyl]heptanedioate Traditional Name: 4-keto-3-[4-keto-4-(phenethylamino)butanoyl]pimelic acid dimethyl ester Formula: C21H27NO7 MolecularWeight: 405.44158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C(CC(=O)OC)C(=O)CCC(=O)NCCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCC(=O)C(CC(=O)OC)C(=O)CCC(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C21H27NO7/c1-28-20(26)11-9-18(24)16(14-21(27)29-2)17(23)8-10-19(25)22-13-12-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,22,25)