5-[3-(2-chloranylethanoyl)-2,5-dimethyl-pyrrol-1-yl]-2-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 5-[3-(2-chloranylethanoyl)-2,5-dimethyl-pyrrol-1-yl]-2-pyrrolidin-1-yl-benzoic acid Openeye Name: 5-[3-(2-chloroacetyl)-2,5-dimethyl-pyrrol-1-yl]-2-pyrrolidin-1-yl-benzoic acid CAS Name: 5-[3-(2-chloro-1-oxoethyl)-2,5-dimethyl-1-pyrrolyl]-2-(1-pyrrolidinyl)benzoic acid IUPAC Name: 5-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]-2-pyrrolidin-1-ylbenzoic acid Traditional Name: 5-[3-(2-chloroacetyl)-2,5-dimethyl-pyrrol-1-yl]-2-pyrrolidino-benzoic acid Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCC3)C(=O)O)C)C(=O)CCl

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCC3)C(=O)O)C)C(=O)CCl

InChI

InChI=1S/C19H21ClN2O3/c1-12-9-15(18(23)11-20)13(2)22(12)14-5-6-17(16(10-14)19(24)25)21-7-3-4-8-21/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,24,25)