3-[1-(3-ethanoylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate

Systemtic Name: 3-[1-(3-ethanoylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate Openeye Name: 3-[1-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-(3-acetylphenyl)-5-(4-methoxyphenyl)-2-pyrrolyl]propanoate IUPAC Name: 3-[1-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[1-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propionate Formula: C22H20NO4- MolecularWeight: 362.3985

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N2C(=CC=C2C3=CC=C(C=C3)OC)CCC(=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N2C(=CC=C2C3=CC=C(C=C3)OC)CCC(=O)[O-]

InChI

InChI=1S/C22H21NO4/c1-15(24)17-4-3-5-19(14-17)23-18(9-13-22(25)26)8-12-21(23)16-6-10-20(27-2)11-7-16/h3-8,10-12,14H,9,13H2,1-2H3,(H,25,26)/p-1