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

Systemtic Name: 4-[3-isocyano-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethyl-butanoic acid Openeye Name: 4-[3-isocyano-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butanoic acid CAS Name: 4-[3-isocyano-4-[3-(2-pyridinylamino)propoxy]phenyl]-3,3-dimethylbutanoic acid IUPAC Name: 4-[3-isocyano-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethylbutanoic acid Traditional Name: 4-[3-isocyano-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butyric acid Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC(=C(C=C1)OCCCNC2=CC=CC=N2)[N+]#[C-])CC(=O)O

Isomeric SMILES

CC(C)(CC1=CC(=C(C=C1)OCCCNC2=CC=CC=N2)[N+]#[C-])CC(=O)O

InChI

InChI=1S/C21H25N3O3/c1-21(2,15-20(25)26)14-16-8-9-18(17(13-16)22-3)27-12-6-11-24-19-7-4-5-10-23-19/h4-5,7-10,13H,6,11-12,14-15H2,1-2H3,(H,23,24)(H,25,26)