2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-3-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-dihydroisoquinoline-3-carboxylic acid

Systemtic Name: 2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-3-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-6-(3-pyridylmethoxy)-1,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 2-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-3-(phenylmethyl)-6-(3-pyridinylmethoxy)-1,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 3-benzyl-2-(4-tert-butyl-3-methoxybenzoyl)-6-(pyridin-3-ylmethoxy)-1,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-6-(3-pyridylmethoxy)-1,4-dihydroisoquinoline-3-carboxylic acid Formula: C35H36N2O5 MolecularWeight: 564.67074

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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=C(C=C3)OCC5=CN=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=C(C=C3)OCC5=CN=CC=C5)OC

InChI

InChI=1S/C35H36N2O5/c1-34(2,3)30-15-13-26(18-31(30)41-4)32(38)37-22-27-12-14-29(42-23-25-11-8-16-36-21-25)17-28(27)20-35(37,33(39)40)19-24-9-6-5-7-10-24/h5-18,21H,19-20,22-23H2,1-4H3,(H,39,40)