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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1(C2=CC=CC=C2CCN1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)C(=O)O

Isomeric SMILES

CC(=C)CC1(C2=CC=CC=C2CCN1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)C(=O)O

InChI

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