methyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1-[(E)-3-phenylprop-2-enoyl]pyrrole-2-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1-[(E)-3-phenylprop-2-enoyl]pyrrole-2-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-3-morpholino-1-[(E)-3-phenylprop-2-enoyl]pyrrole-2-carboxylate CAS Name: 4-(4-chlorophenyl)-3-(4-morpholinyl)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1-[(E)-3-phenylprop-2-enoyl]pyrrole-2-carboxylate Traditional Name: 4-(4-chlorophenyl)-3-morpholino-1-[(E)-3-phenylacryloyl]pyrrole-2-carboxylic acid methyl ester Formula: C25H23ClN2O4 MolecularWeight: 450.91412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1C(=O)C=CC2=CC=CC=C2)C3=CC=C(C=C3)Cl)N4CCOCC4

Isomeric SMILES

COC(=O)C1=C(C(=CN1C(=O)/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)Cl)N4CCOCC4

InChI

InChI=1S/C25H23ClN2O4/c1-31-25(30)24-23(27-13-15-32-16-14-27)21(19-8-10-20(26)11-9-19)17-28(24)22(29)12-7-18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3/b12-7+