tert-butyl 3-(4-iodophenyl)-3-(1-oxidanylidene-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoate

Systemtic Name: tert-butyl 3-(4-iodophenyl)-3-(1-oxidanylidene-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoate Openeye Name: tert-butyl 3-(6-benzyloxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-3-(4-iodophenyl)propanoate CAS Name: 3-(4-iodophenyl)-3-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-iodophenyl)-3-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoate Traditional Name: 3-(6-benzoxy-1-keto-3,4-dihydroisoquinolin-2-yl)-3-(4-iodophenyl)propionic acid tert-butyl ester Formula: C29H30INO4 MolecularWeight: 583.45727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C1=CC=C(C=C1)I)N2CCC3=C(C2=O)C=CC(=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CC(C1=CC=C(C=C1)I)N2CCC3=C(C2=O)C=CC(=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H30INO4/c1-29(2,3)35-27(32)18-26(21-9-11-23(30)12-10-21)31-16-15-22-17-24(13-14-25(22)28(31)33)34-19-20-7-5-4-6-8-20/h4-14,17,26H,15-16,18-19H2,1-3H3