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

Systemtic Name: propyl 4-[3-chloranyl-4-(2-ethylpiperidin-1-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4/c1-3-13-28-21(27)14-8-10-16(11-9-14)24-19(25)17(22)18(20(24)26)23-12-6-5-7-15(23)4-2/h8-11,15H,3-7,12-13H2,1-2H3