methyl 4-[[3-[(3-methylphenyl)carbonylamino]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-[(3-methylphenyl)carbonylamino]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-[(3-methylbenzoyl)amino]propanoylamino]methyl]benzoate CAS Name: 4-[[[3-[[(3-methylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(3-methylbenzoyl)amino]propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(m-toluoylamino)propanoylamino]methyl]benzoic acid methyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H22N2O4/c1-14-4-3-5-17(12-14)19(24)21-11-10-18(23)22-13-15-6-8-16(9-7-15)20(25)26-2/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)(H,22,23)