3-azanyl-6-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid Openeye Name: 3-amino-6-[2-(2-benzyloxy-5-chloro-phenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid CAS Name: 3-amino-6-[2-(5-chloro-2-phenylmethoxyphenyl)-1-cyclopentenyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-amino-6-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid Traditional Name: 3-amino-6-[2-(2-benzoxy-5-chloro-phenyl)cyclopenten-1-yl]pyrazinoic acid Formula: C23H20ClN3O3 MolecularWeight: 421.8762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN3O3/c24-15-9-10-20(30-13-14-5-2-1-3-6-14)18(11-15)16-7-4-8-17(16)19-12-26-22(25)21(27-19)23(28)29/h1-3,5-6,9-12H,4,7-8,13H2,(H2,25,26)(H,28,29)