4-[2-ethynyl-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethyl-butanoic acid

Systemtic Name: 4-[2-ethynyl-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethyl-butanoic acid Openeye Name: 4-[2-ethynyl-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butanoic acid CAS Name: 4-[2-ethynyl-4-[3-(2-pyridinylamino)propoxy]phenyl]-3,3-dimethylbutanoic acid IUPAC Name: 4-[2-ethynyl-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethylbutanoic acid Traditional Name: 4-[2-ethynyl-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butyric acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=C(C=C(C=C1)OCCCNC2=CC=CC=N2)C#C)CC(=O)O

Isomeric SMILES

CC(C)(CC1=C(C=C(C=C1)OCCCNC2=CC=CC=N2)C#C)CC(=O)O

InChI

InChI=1S/C22H26N2O3/c1-4-17-14-19(10-9-18(17)15-22(2,3)16-21(25)26)27-13-7-12-24-20-8-5-6-11-23-20/h1,5-6,8-11,14H,7,12-13,15-16H2,2-3H3,(H,23,24)(H,25,26)