2-[6-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyrazin-2-yl]ethanoic acid

Systemtic Name: 2-[6-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyrazin-2-yl]ethanoic acid Openeye Name: 2-[6-[2-(4,4-dimethylchroman-6-yl)ethynyl]pyrazin-2-yl]acetic acid CAS Name: 2-[6-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-pyrazinyl]acetic acid IUPAC Name: 2-[6-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyrazin-2-yl]acetic acid Traditional Name: 2-[6-[2-(4,4-dimethylchroman-6-yl)ethynyl]pyrazin-2-yl]acetic acid Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC2=C1C=C(C=C2)C#CC3=CN=CC(=N3)CC(=O)O)C

Isomeric SMILES

CC1(CCOC2=C1C=C(C=C2)C#CC3=CN=CC(=N3)CC(=O)O)C

InChI

InChI=1S/C19H18N2O3/c1-19(2)7-8-24-17-6-4-13(9-16(17)19)3-5-14-11-20-12-15(21-14)10-18(22)23/h4,6,9,11-12H,7-8,10H2,1-2H3,(H,22,23)