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

Systemtic Name: butyl 4-[3-chloranyl-4-(2-ethylpiperidin-1-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCCCC3CC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCCCC3CC

InChI

InChI=1S/C22H27ClN2O4/c1-3-5-14-29-22(28)15-9-11-17(12-10-15)25-20(26)18(23)19(21(25)27)24-13-7-6-8-16(24)4-2/h9-12,16H,3-8,13-14H2,1-2H3