7-(4-tert-butylphenoxy)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid

Systemtic Name: 7-(4-tert-butylphenoxy)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid Openeye Name: 7-(4-tert-butylphenoxy)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid CAS Name: 7-(4-tert-butylphenoxy)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid IUPAC Name: 7-(4-tert-butylphenoxy)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid Traditional Name: 7-(4-tert-butylphenoxy)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC3=C(CC(N(C3)C(=O)O)C(=O)O)C=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC3=C(CC(N(C3)C(=O)O)C(=O)O)C=C2

InChI

InChI=1S/C21H23NO5/c1-21(2,3)15-5-8-16(9-6-15)27-17-7-4-13-11-18(19(23)24)22(20(25)26)12-14(13)10-17/h4-10,18H,11-12H2,1-3H3,(H,23,24)(H,25,26)