3-[6-(3,4-dimethoxyphenyl)pyridin-2-yl]carbonyl-2-piperazin-1-yl-benzoic acid

Systemtic Name: 3-[6-(3,4-dimethoxyphenyl)pyridin-2-yl]carbonyl-2-piperazin-1-yl-benzoic acid Openeye Name: 3-[6-(3,4-dimethoxyphenyl)pyridine-2-carbonyl]-2-piperazin-1-yl-benzoic acid CAS Name: 3-[[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-oxomethyl]-2-(1-piperazinyl)benzoic acid IUPAC Name: 3-[6-(3,4-dimethoxyphenyl)pyridine-2-carbonyl]-2-piperazin-1-ylbenzoic acid Traditional Name: 3-[6-(3,4-dimethoxyphenyl)picolinoyl]-2-piperazino-benzoic acid Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CC=C2)C(=O)C3=C(C(=CC=C3)C(=O)O)N4CCNCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CC=C2)C(=O)C3=C(C(=CC=C3)C(=O)O)N4CCNCC4)OC

InChI

InChI=1S/C25H25N3O5/c1-32-21-10-9-16(15-22(21)33-2)19-7-4-8-20(27-19)24(29)17-5-3-6-18(25(30)31)23(17)28-13-11-26-12-14-28/h3-10,15,26H,11-14H2,1-2H3,(H,30,31)