3-cyclopentyl-2-(2-ethynylphenyl)propanoic acid; pyrimidine

Systemtic Name: 3-cyclopentyl-2-(2-ethynylphenyl)propanoic acid; pyrimidine Openeye Name: 3-cyclopentyl-2-(2-ethynylphenyl)propanoic acid; pyrimidine CAS Name: 3-cyclopentyl-2-(2-ethynylphenyl)propanoic acid; pyrimidine IUPAC Name: 3-cyclopentyl-2-(2-ethynylphenyl)propanoic acid; pyrimidine Traditional Name: 3-cyclopentyl-2-(2-ethynylphenyl)propionic acid; pyrimidine Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=CC=C1C(CC2CCCC2)C(=O)O.C1=CN=CN=C1

Isomeric SMILES

C#CC1=CC=CC=C1C(CC2CCCC2)C(=O)O.C1=CN=CN=C1

InChI

InChI=1S/C16H18O2.C4H4N2/c1-2-13-9-5-6-10-14(13)15(16(17)18)11-12-7-3-4-8-12;1-2-5-4-6-3-1/h1,5-6,9-10,12,15H,3-4,7-8,11H2,(H,17,18);1-4H