2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-7-methoxy-3-(phenylmethyl)-1,4-dihydroisoquinoline-3-carboxylic acid

Systemtic Name: 2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-7-methoxy-3-(phenylmethyl)-1,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-7-methoxy-1,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 2-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-7-methoxy-3-(phenylmethyl)-1,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 3-benzyl-2-(4-tert-butyl-3-methoxybenzoyl)-7-methoxy-1,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-7-methoxy-1,4-dihydroisoquinoline-3-carboxylic acid Formula: C30H33NO5 MolecularWeight: 487.58672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CC3=C(CC2(CC4=CC=CC=C4)C(=O)O)C=CC(=C3)OC)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CC3=C(CC2(CC4=CC=CC=C4)C(=O)O)C=CC(=C3)OC)OC

InChI

InChI=1S/C30H33NO5/c1-29(2,3)25-14-12-21(16-26(25)36-5)27(32)31-19-23-15-24(35-4)13-11-22(23)18-30(31,28(33)34)17-20-9-7-6-8-10-20/h6-16H,17-19H2,1-5H3,(H,33,34)