methyl 2-[5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethanoate

Systemtic Name: methyl 2-[5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethanoate Openeye Name: methyl 2-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate CAS Name: 2-[5-[(4-methylphenyl)-oxomethyl]-1H-pyrrol-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate Traditional Name: 2-(5-p-toluoyl-1H-pyrrol-2-yl)acetic acid methyl ester Formula: C15H15NO3 MolecularWeight: 257.2845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2)CC(=O)OC

InChI

InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(18)13-8-7-12(16-13)9-14(17)19-2/h3-8,16H,9H2,1-2H3