ethyl 4-[3-chloranyl-4-(2-ethylpiperidin-1-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-chloranyl-4-(2-ethylpiperidin-1-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-chloro-4-(2-ethyl-1-piperidyl)-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 4-[3-chloro-4-(2-ethyl-1-piperidinyl)-2,5-dioxo-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-chloro-4-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 4-[3-chloro-4-(2-ethylpiperidino)-2,5-diketo-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC)Cl

Isomeric SMILES

CCC1CCCCN1C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC)Cl

InChI

InChI=1S/C20H23ClN2O4/c1-3-14-7-5-6-12-22(14)17-16(21)18(24)23(19(17)25)15-10-8-13(9-11-15)20(26)27-4-2/h8-11,14H,3-7,12H2,1-2H3