[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-bromanylbenzoate

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-bromanylbenzoate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H22BrNO3 MolecularWeight: 440.32968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C23H22BrNO3/c1-16-14-20(17(2)25(16)13-12-18-8-4-3-5-9-18)22(26)15-28-23(27)19-10-6-7-11-21(19)24/h3-11,14H,12-13,15H2,1-2H3