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

Systemtic Name: 4-chloranyl-5-(dimethylamino)-2-(4-pyrrolidin-1-ylphenyl)carbonyl-benzoic acid Openeye Name: 4-chloro-5-(dimethylamino)-2-(4-pyrrolidin-1-ylbenzoyl)benzoic acid CAS Name: 4-chloro-5-(dimethylamino)-2-[oxo-[4-(1-pyrrolidinyl)phenyl]methyl]benzoic acid IUPAC Name: 4-chloro-5-(dimethylamino)-2-(4-pyrrolidin-1-ylbenzoyl)benzoic acid Traditional Name: 4-chloro-5-(dimethylamino)-2-(4-pyrrolidinobenzoyl)benzoic acid Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C(=C1)C(=O)O)C(=O)C2=CC=C(C=C2)N3CCCC3)Cl

Isomeric SMILES

CN(C)C1=C(C=C(C(=C1)C(=O)O)C(=O)C2=CC=C(C=C2)N3CCCC3)Cl

InChI

InChI=1S/C20H21ClN2O3/c1-22(2)18-12-16(20(25)26)15(11-17(18)21)19(24)13-5-7-14(8-6-13)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,25,26)