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

Systemtic Name: [1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: [1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)pentanoic 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)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-valeric acid [2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C27H35N3O6 MolecularWeight: 497.5833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O6/c1-4-19(2)24(29-27(33)35-18-21-8-6-5-7-9-21)26(32)36-20(3)25(31)28-22-10-12-23(13-11-22)30-14-16-34-17-15-30/h5-13,19-20,24H,4,14-18H2,1-3H3,(H,28,31)(H,29,33)