2-[1-butyl-5-(4-chlorophenyl)carbonyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 2-[1-butyl-5-(4-chlorophenyl)carbonyl-pyrrol-2-yl]propanoic acid Openeye Name: 2-[1-butyl-5-(4-chlorobenzoyl)pyrrol-2-yl]propanoic acid CAS Name: 2-[1-butyl-5-[(4-chlorophenyl)-oxomethyl]-2-pyrrolyl]propanoic acid IUPAC Name: 2-[1-butyl-5-(4-chlorobenzoyl)pyrrol-2-yl]propanoic acid Traditional Name: 2-[1-butyl-5-(4-chlorobenzoyl)pyrrol-2-yl]propionic acid Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC=C1C(=O)C2=CC=C(C=C2)Cl)C(C)C(=O)O

Isomeric SMILES

CCCCN1C(=CC=C1C(=O)C2=CC=C(C=C2)Cl)C(C)C(=O)O

InChI

InChI=1S/C18H20ClNO3/c1-3-4-11-20-15(12(2)18(22)23)9-10-16(20)17(21)13-5-7-14(19)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,22,23)