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

Systemtic Name: butyl 4-[3-chloranyl-4-(3-methylpiperidin-1-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: butyl 4-[3-chloro-4-(3-methyl-1-piperidyl)-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 4-[3-chloro-4-(3-methyl-1-piperidinyl)-2,5-dioxo-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 4-[3-chloro-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 4-[3-chloro-2,5-diketo-4-(3-methylpiperidino)-3-pyrrolin-1-yl]benzoic acid butyl ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCCC(C3)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCCC(C3)C

InChI

InChI=1S/C21H25ClN2O4/c1-3-4-12-28-21(27)15-7-9-16(10-8-15)24-19(25)17(22)18(20(24)26)23-11-5-6-14(2)13-23/h7-10,14H,3-6,11-13H2,1-2H3