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

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

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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(C)C)Cl

Isomeric SMILES

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

InChI

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