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

Systemtic Name: butyl 3-[3-chloranyl-4-(cyclohexylamino)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: butyl 3-[3-chloro-4-(cyclohexylamino)-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 3-[3-chloro-4-(cyclohexylamino)-2,5-dioxo-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 3-[3-chloro-4-(cyclohexylamino)-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 3-[3-chloro-4-(cyclohexylamino)-2,5-diketo-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(=CC=C1)N2C(=O)C(=C(C2=O)Cl)NC3CCCCC3

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)NC3CCCCC3

InChI

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