methyl 4-[[5-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)pentanoyl]amino]benzoate

Systemtic Name: methyl 4-[[5-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)pentanoyl]amino]benzoate Openeye Name: methyl 4-[[5-(2-anilino-2-oxo-ethoxy)-5-oxo-pentanoyl]amino]benzoate CAS Name: 4-[[5-(2-anilino-2-oxoethoxy)-1,5-dioxopentyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(2-anilino-2-oxoethoxy)-5-oxopentanoyl]amino]benzoate Traditional Name: 4-[[5-(2-anilino-2-keto-ethoxy)-5-keto-pentanoyl]amino]benzoic acid methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCCC(=O)OCC(=O)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCCC(=O)OCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O6/c1-28-21(27)15-10-12-17(13-11-15)22-18(24)8-5-9-20(26)29-14-19(25)23-16-6-3-2-4-7-16/h2-4,6-7,10-13H,5,8-9,14H2,1H3,(H,22,24)(H,23,25)