2-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]pyrimidine-4-carboxylic acid

Systemtic Name: 2-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]pyrimidine-4-carboxylic acid Openeye Name: 2-[2-(2-benzyloxy-5-chloro-phenyl)cyclopenten-1-yl]pyrimidine-4-carboxylic acid CAS Name: 2-[2-(5-chloro-2-phenylmethoxyphenyl)-1-cyclopentenyl]-4-pyrimidinecarboxylic acid IUPAC Name: 2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyrimidine-4-carboxylic acid Traditional Name: 2-[2-(2-benzoxy-5-chloro-phenyl)cyclopenten-1-yl]pyrimidine-4-carboxylic acid Formula: C23H19ClN2O3 MolecularWeight: 406.86156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1)C2=NC=CC(=N2)C(=O)O)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(=C(C1)C2=NC=CC(=N2)C(=O)O)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C23H19ClN2O3/c24-16-9-10-21(29-14-15-5-2-1-3-6-15)19(13-16)17-7-4-8-18(17)22-25-12-11-20(26-22)23(27)28/h1-3,5-6,9-13H,4,7-8,14H2,(H,27,28)