5-ethoxy-2-(4-pyrrolidin-1-ylphenyl)carbonyl-benzoic acid

Systemtic Name: 5-ethoxy-2-(4-pyrrolidin-1-ylphenyl)carbonyl-benzoic acid Openeye Name: 5-ethoxy-2-(4-pyrrolidin-1-ylbenzoyl)benzoic acid CAS Name: 5-ethoxy-2-[oxo-[4-(1-pyrrolidinyl)phenyl]methyl]benzoic acid IUPAC Name: 5-ethoxy-2-(4-pyrrolidin-1-ylbenzoyl)benzoic acid Traditional Name: 5-ethoxy-2-(4-pyrrolidinobenzoyl)benzoic acid Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)N3CCCC3)C(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)N3CCCC3)C(=O)O

InChI

InChI=1S/C20H21NO4/c1-2-25-16-9-10-17(18(13-16)20(23)24)19(22)14-5-7-15(8-6-14)21-11-3-4-12-21/h5-10,13H,2-4,11-12H2,1H3,(H,23,24)