[1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid [2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C26H33N3O5/c1-17(2)23(28-25(31)20-7-5-6-18(3)16-20)26(32)34-19(4)24(30)27-21-8-10-22(11-9-21)29-12-14-33-15-13-29/h5-11,16-17,19,23H,12-15H2,1-4H3,(H,27,30)(H,28,31)