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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCCCC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCCCC3

InChI

InChI=1S/C20H23ClN2O4/c1-2-3-13-27-20(26)14-7-9-15(10-8-14)23-18(24)16(21)17(19(23)25)22-11-5-4-6-12-22/h7-10H,2-6,11-13H2,1H3