methyl 4-methyl-3-[3-(2-phenylethanoylamino)propanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[3-(2-phenylethanoylamino)propanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[3-[(2-phenylacetyl)amino]propanoylamino]benzoate CAS Name: 4-methyl-3-[[1-oxo-3-[(1-oxo-2-phenylethyl)amino]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[3-[(2-phenylacetyl)amino]propanoylamino]benzoate Traditional Name: 4-methyl-3-[3-[(2-phenylacetyl)amino]propanoylamino]benzoic acid methyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCNC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCNC(=O)CC2=CC=CC=C2

InChI

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