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

Systemtic Name: [1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)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-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1=CC=C(C=C1)N2CCOCC2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OC(C)C(=O)NC1=CC=C(C=C1)N2CCOCC2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O6/c1-18(2)23(28-26(32)34-17-20-7-5-4-6-8-20)25(31)35-19(3)24(30)27-21-9-11-22(12-10-21)29-13-15-33-16-14-29/h4-12,18-19,23H,13-17H2,1-3H3,(H,27,30)(H,28,32)