methyl 2-[[[(4-chlorophenyl)carbonylamino]-morpholin-4-yl-methylidene]amino]-2-phenyl-ethanoate hydrate

Systemtic Name: methyl 2-[[[(4-chlorophenyl)carbonylamino]-morpholin-4-yl-methylidene]amino]-2-phenyl-ethanoate hydrate Openeye Name: methyl 2-[[[(4-chlorobenzoyl)amino]-morpholino-methylene]amino]-2-phenyl-acetate hydrate CAS Name: 2-[[[[(4-chlorophenyl)-oxomethyl]amino]-(4-morpholinyl)methylidene]amino]-2-phenylacetic acid methyl ester hydrate IUPAC Name: methyl 2-[[[(4-chlorobenzoyl)amino]-morpholin-4-ylmethylidene]amino]-2-phenylacetate hydrate Traditional Name: 2-[[[(4-chlorobenzoyl)amino]-morpholino-methylene]amino]-2-phenyl-acetic acid methyl ester hydrate Formula: C21H24ClN3O5 MolecularWeight: 433.88536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)N=C(NC(=O)C2=CC=C(C=C2)Cl)N3CCOCC3.O

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)N=C(NC(=O)C2=CC=C(C=C2)Cl)N3CCOCC3.O

InChI

InChI=1S/C21H22ClN3O4.H2O/c1-28-20(27)18(15-5-3-2-4-6-15)23-21(25-11-13-29-14-12-25)24-19(26)16-7-9-17(22)10-8-16;/h2-10,18H,11-14H2,1H3,(H,23,24,26);1H2