3-[1-(4-butylphenyl)-5-phenyl-pyrrol-2-yl]propanoate

Systemtic Name: 3-[1-(4-butylphenyl)-5-phenyl-pyrrol-2-yl]propanoate Openeye Name: 3-[1-(4-butylphenyl)-5-phenyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-(4-butylphenyl)-5-phenyl-2-pyrrolyl]propanoate IUPAC Name: 3-[1-(4-butylphenyl)-5-phenylpyrrol-2-yl]propanoate Traditional Name: 3-[1-(4-butylphenyl)-5-phenyl-pyrrol-2-yl]propionate Formula: C23H24NO2- MolecularWeight: 346.44216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=CC=C2C3=CC=CC=C3)CCC(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=CC=C2C3=CC=CC=C3)CCC(=O)[O-]

InChI

InChI=1S/C23H25NO2/c1-2-3-7-18-10-12-20(13-11-18)24-21(15-17-23(25)26)14-16-22(24)19-8-5-4-6-9-19/h4-6,8-14,16H,2-3,7,15,17H2,1H3,(H,25,26)/p-1