[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-(diethylamino)benzoate

Systemtic Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-(diethylamino)benzoate Openeye Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-(diethylamino)benzoate CAS Name: 4-(diethylamino)benzoic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-(diethylamino)benzoate Traditional Name: 4-(diethylamino)benzoic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H27BrN2O3 MolecularWeight: 483.39748

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C25H27BrN2O3/c1-5-27(6-2)21-11-7-19(8-12-21)25(30)31-16-24(29)23-15-17(3)28(18(23)4)22-13-9-20(26)10-14-22/h7-15H,5-6,16H2,1-4H3