5-(2,2-dimethyl-4-oxidanyl-4-oxidanylidene-butyl)-2-[3-(pyridin-2-ylamino)propoxy]benzoic acid

Systemtic Name: 5-(2,2-dimethyl-4-oxidanyl-4-oxidanylidene-butyl)-2-[3-(pyridin-2-ylamino)propoxy]benzoic acid Openeye Name: 5-(4-hydroxy-2,2-dimethyl-4-oxo-butyl)-2-[3-(2-pyridylamino)propoxy]benzoic acid CAS Name: 5-(4-hydroxy-2,2-dimethyl-4-oxobutyl)-2-[3-(2-pyridinylamino)propoxy]benzoic acid IUPAC Name: 5-(4-hydroxy-2,2-dimethyl-4-oxobutyl)-2-[3-(pyridin-2-ylamino)propoxy]benzoic acid Traditional Name: 5-(4-hydroxy-4-keto-2,2-dimethyl-butyl)-2-[3-(2-pyridylamino)propoxy]benzoic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5/c1-21(2,14-19(24)25)13-15-7-8-17(16(12-15)20(26)27)28-11-5-10-23-18-6-3-4-9-22-18/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)