2-methyl-4-[2-[2-[(4-methylphenyl)carbonylamino]ethanoylamino]ethanoyloxymethyl]benzoic acid

Systemtic Name: 2-methyl-4-[2-[2-[(4-methylphenyl)carbonylamino]ethanoylamino]ethanoyloxymethyl]benzoic acid Openeye Name: 2-methyl-4-[[2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoic acid CAS Name: 2-methyl-4-[[2-[[2-[[(4-methylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]-1-oxoethoxy]methyl]benzoic acid IUPAC Name: 2-methyl-4-[[2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoic acid Traditional Name: 2-methyl-4-[[2-[[2-(p-toluoylamino)acetyl]amino]acetyl]oxymethyl]benzoic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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