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

Systemtic Name: 2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-3-(2-methylpropyl)-1,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 2-(4-tert-butyl-3-methoxy-benzoyl)-3-isobutyl-1,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 2-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-3-(2-methylpropyl)-1,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 2-(4-tert-butyl-3-methoxybenzoyl)-3-(2-methylpropyl)-1,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 2-(4-tert-butyl-3-methoxy-benzoyl)-3-isobutyl-1,4-dihydroisoquinoline-3-carboxylic acid Formula: C26H33NO4 MolecularWeight: 423.54452

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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/C26H33NO4/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/h7-13,17H,14-16H2,1-6H3,(H,29,30)