methyl 4-[2-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(3-methylanilino)-4-oxo-butanoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[4-(3-methylanilino)-1,4-dioxobutoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(3-methylanilino)-4-oxobutanoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-4-(m-toluidino)butanoyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H22N2O6/c1-14-4-3-5-17(12-14)23-18(24)10-11-20(26)29-13-19(25)22-16-8-6-15(7-9-16)21(27)28-2/h3-9,12H,10-11,13H2,1-2H3,(H,22,25)(H,23,24)