tert-butyl 5-chloranyl-2-[3-[2-(4-methylphenyl)carbonylpyrrol-1-yl]prop-1-ynyl]benzoate

Systemtic Name: tert-butyl 5-chloranyl-2-[3-[2-(4-methylphenyl)carbonylpyrrol-1-yl]prop-1-ynyl]benzoate Openeye Name: tert-butyl 5-chloro-2-[3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-ynyl]benzoate CAS Name: 5-chloro-2-[3-[2-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]prop-1-ynyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-[3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-ynyl]benzoate Traditional Name: 5-chloro-2-[3-(2-p-toluoylpyrrol-1-yl)prop-1-ynyl]benzoic acid tert-butyl ester Formula: C26H24ClNO3 MolecularWeight: 433.92666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC#CC3=C(C=C(C=C3)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC#CC3=C(C=C(C=C3)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H24ClNO3/c1-18-9-11-20(12-10-18)24(29)23-8-6-16-28(23)15-5-7-19-13-14-21(27)17-22(19)25(30)31-26(2,3)4/h6,8-14,16-17H,15H2,1-4H3