methyl 5-chloranyl-2-[4-[2-(4-methylphenyl)carbonylpyrrol-1-yl]but-2-ynoxy]benzoate

Systemtic Name: methyl 5-chloranyl-2-[4-[2-(4-methylphenyl)carbonylpyrrol-1-yl]but-2-ynoxy]benzoate Openeye Name: methyl 5-chloro-2-[4-[2-(4-methylbenzoyl)pyrrol-1-yl]but-2-ynoxy]benzoate CAS Name: 5-chloro-2-[4-[2-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]but-2-ynoxy]benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-[4-[2-(4-methylbenzoyl)pyrrol-1-yl]but-2-ynoxy]benzoate Traditional Name: 5-chloro-2-[4-(2-p-toluoylpyrrol-1-yl)but-2-ynoxy]benzoic acid methyl ester Formula: C24H20ClNO4 MolecularWeight: 421.8729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC#CCOC3=C(C=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC#CCOC3=C(C=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C24H20ClNO4/c1-17-7-9-18(10-8-17)23(27)21-6-5-14-26(21)13-3-4-15-30-22-12-11-19(25)16-20(22)24(28)29-2/h5-12,14,16H,13,15H2,1-2H3