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

Systemtic Name: 3-[1-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate Openeye Name: 3-[1-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-2-pyrrolyl]propanoate IUPAC Name: 3-[1-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[1-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propionate Formula: C22H22NO3- MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)OC)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)OC)CCC(=O)[O-])C

InChI

InChI=1S/C22H23NO3/c1-15-4-11-20(16(2)14-15)23-18(8-13-22(24)25)7-12-21(23)17-5-9-19(26-3)10-6-17/h4-7,9-12,14H,8,13H2,1-3H3,(H,24,25)/p-1