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

Systemtic Name: 2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-7-phenylmethoxy-3-(phenylmethyl)-1,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 3-benzyl-7-benzyloxy-2-(4-tert-butyl-3-methoxy-benzoyl)-1,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 2-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-7-phenylmethoxy-3-(phenylmethyl)-1,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 3-benzyl-2-(4-tert-butyl-3-methoxybenzoyl)-7-phenylmethoxy-1,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 7-benzoxy-3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-1,4-dihydroisoquinoline-3-carboxylic acid Formula: C36H37NO5 MolecularWeight: 563.68268

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)OCC5=CC=CC=C5)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)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C36H37NO5/c1-35(2,3)31-18-16-27(20-32(31)41-4)33(38)37-23-29-19-30(42-24-26-13-9-6-10-14-26)17-15-28(29)22-36(37,34(39)40)21-25-11-7-5-8-12-25/h5-20H,21-24H2,1-4H3,(H,39,40)