2-[(6S)-6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl]benzoic acid

Systemtic Name: 2-[(6S)-6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl]benzoic acid Openeye Name: 2-[(6S)-6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl]benzoic acid CAS Name: 2-[(6S)-6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl]benzoic acid IUPAC Name: 2-[(6S)-6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl]benzoic acid Traditional Name: 2-[(6S)-6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl]benzoic acid Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN=C(N1)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC[C@H]1CCN=C(N1)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H16N2O2/c1-2-9-7-8-14-12(15-9)10-5-3-4-6-11(10)13(16)17/h3-6,9H,2,7-8H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1