7-(4-tert-butylphenoxy)-1-(oxan-4-yl)isoquinoline-3-carboxylic acid

Systemtic Name: 7-(4-tert-butylphenoxy)-1-(oxan-4-yl)isoquinoline-3-carboxylic acid Openeye Name: 7-(4-tert-butylphenoxy)-1-tetrahydropyran-4-yl-isoquinoline-3-carboxylic acid CAS Name: 7-(4-tert-butylphenoxy)-1-(4-oxanyl)-3-isoquinolinecarboxylic acid IUPAC Name: 7-(4-tert-butylphenoxy)-1-(oxan-4-yl)isoquinoline-3-carboxylic acid Traditional Name: 7-(4-tert-butylphenoxy)-1-tetrahydropyran-4-yl-isoquinoline-3-carboxylic acid Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC3=C(N=C(C=C3C=C2)C(=O)O)C4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC3=C(N=C(C=C3C=C2)C(=O)O)C4CCOCC4

InChI

InChI=1S/C25H27NO4/c1-25(2,3)18-5-8-19(9-6-18)30-20-7-4-17-14-22(24(27)28)26-23(21(17)15-20)16-10-12-29-13-11-16/h4-9,14-16H,10-13H2,1-3H3,(H,27,28)