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

Systemtic Name: methyl 4-[3-chloranyl-4-(2-ethylpiperidin-1-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H21ClN2O4 MolecularWeight: 376.83404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O4/c1-3-13-6-4-5-11-21(13)16-15(20)17(23)22(18(16)24)14-9-7-12(8-10-14)19(25)26-2/h7-10,13H,3-6,11H2,1-2H3