ethyl 4-(4-chlorophenyl)-1-[(5-ethoxycarbonyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-1-[(5-ethoxycarbonyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-1-[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]piperidine-4-carboxylate CAS Name: 4-(4-chlorophenyl)-1-[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-1-[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(5-carbethoxy-2-keto-4-imidazolin-4-yl)methyl]-4-(4-chlorophenyl)isonipecotic acid ethyl ester Formula: C21H26ClN3O5 MolecularWeight: 435.90124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N1)CN2CCC(CC2)(C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N1)CN2CCC(CC2)(C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C21H26ClN3O5/c1-3-29-18(26)17-16(23-20(28)24-17)13-25-11-9-21(10-12-25,19(27)30-4-2)14-5-7-15(22)8-6-14/h5-8H,3-4,9-13H2,1-2H3,(H2,23,24,28)