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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O4/c1-3-26-19(25)13-6-8-14(9-7-13)22-17(23)15(20)16(18(22)24)21-10-4-5-12(2)11-21/h6-9,12H,3-5,10-11H2,1-2H3