dimethyl (E)-2-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]but-2-enedioate Openeye Name: dimethyl (E)-2-[4-(4-chlorophenyl)-3-morpholino-1H-pyrrol-2-yl]but-2-enedioate CAS Name: (E)-2-[4-(4-chlorophenyl)-3-(4-morpholinyl)-1H-pyrrol-2-yl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]but-2-enedioate Traditional Name: (E)-2-[4-(4-chlorophenyl)-3-morpholino-1H-pyrrol-2-yl]but-2-enedioic acid dimethyl ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C1=C(C(=CN1)C2=CC=C(C=C2)Cl)N3CCOCC3)C(=O)OC

Isomeric SMILES

COC(=O)/C=C(\C1=C(C(=CN1)C2=CC=C(C=C2)Cl)N3CCOCC3)/C(=O)OC

InChI

InChI=1S/C20H21ClN2O5/c1-26-17(24)11-15(20(25)27-2)18-19(23-7-9-28-10-8-23)16(12-22-18)13-3-5-14(21)6-4-13/h3-6,11-12,22H,7-10H2,1-2H3/b15-11+