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

Systemtic Name: dimethyl 2-[4-(4-chlorophenyl)-3-piperidin-1-yl-1H-pyrrol-2-yl]but-2-enedioate Openeye Name: dimethyl 2-[4-(4-chlorophenyl)-3-(1-piperidyl)-1H-pyrrol-2-yl]but-2-enedioate CAS Name: 2-[4-(4-chlorophenyl)-3-(1-piperidinyl)-1H-pyrrol-2-yl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-(4-chlorophenyl)-3-piperidin-1-yl-1H-pyrrol-2-yl]but-2-enedioate Traditional Name: 2-[4-(4-chlorophenyl)-3-piperidino-1H-pyrrol-2-yl]but-2-enedioic acid dimethyl ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C1=C(C(=CN1)C2=CC=C(C=C2)Cl)N3CCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C=C(C1=C(C(=CN1)C2=CC=C(C=C2)Cl)N3CCCCC3)C(=O)OC

InChI

InChI=1S/C21H23ClN2O4/c1-27-18(25)12-16(21(26)28-2)19-20(24-10-4-3-5-11-24)17(13-23-19)14-6-8-15(22)9-7-14/h6-9,12-13,23H,3-5,10-11H2,1-2H3