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

Systemtic Name: 2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-3-(phenylmethyl)-6-pyridin-4-yl-1,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-6-(4-pyridyl)-1,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 2-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-3-(phenylmethyl)-6-pyridin-4-yl-1,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 3-benzyl-2-(4-tert-butyl-3-methoxybenzoyl)-6-pyridin-4-yl-1,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-6-(4-pyridyl)-1,4-dihydroisoquinoline-3-carboxylic acid Formula: C34H34N2O4 MolecularWeight: 534.64476

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=C(C=C3)C5=CC=NC=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)C5=CC=NC=C5)OC

InChI

InChI=1S/C34H34N2O4/c1-33(2,3)29-13-12-26(19-30(29)40-4)31(37)36-22-27-11-10-25(24-14-16-35-17-15-24)18-28(27)21-34(36,32(38)39)20-23-8-6-5-7-9-23/h5-19H,20-22H2,1-4H3,(H,38,39)