2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-3-(2-methylprop-2-enyl)-1,4-dihydroisoquinoline-3-carboxylic acid

Systemtic Name: 2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-3-(2-methylprop-2-enyl)-1,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 2-(4-tert-butyl-3-methoxy-benzoyl)-3-(2-methylallyl)-1,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 2-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-3-(2-methylprop-2-enyl)-1,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 2-(4-tert-butyl-3-methoxybenzoyl)-3-(2-methylprop-2-enyl)-1,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 2-(4-tert-butyl-3-methoxy-benzoyl)-3-(2-methylallyl)-1,4-dihydroisoquinoline-3-carboxylic acid Formula: C26H31NO4 MolecularWeight: 421.52864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1(CC2=CC=CC=C2CN1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)C(=O)O

Isomeric SMILES

CC(=C)CC1(CC2=CC=CC=C2CN1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)C(=O)O

InChI

InChI=1S/C26H31NO4/c1-17(2)14-26(24(29)30)15-19-9-7-8-10-20(19)16-27(26)23(28)18-11-12-21(25(3,4)5)22(13-18)31-6/h7-13H,1,14-16H2,2-6H3,(H,29,30)