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

Systemtic Name: 3-[1-butyl-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate Openeye Name: 3-[1-butyl-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-butyl-5-(4-methoxyphenyl)-2-pyrrolyl]propanoate IUPAC Name: 3-[1-butyl-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[1-butyl-5-(4-methoxyphenyl)pyrrol-2-yl]propionate Formula: C18H22NO3- MolecularWeight: 300.37218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC=C1C2=CC=C(C=C2)OC)CCC(=O)[O-]

Isomeric SMILES

CCCCN1C(=CC=C1C2=CC=C(C=C2)OC)CCC(=O)[O-]

InChI

InChI=1S/C18H23NO3/c1-3-4-13-19-15(8-12-18(20)21)7-11-17(19)14-5-9-16(22-2)10-6-14/h5-7,9-11H,3-4,8,12-13H2,1-2H3,(H,20,21)/p-1