tert-butyl N-[(1E)-1-[2-(1-adamantyl)-2-oxidanylidene-ethylidene]-3,3-dimethyl-2,4-dihydroisoquinolin-6-yl]carbamate

Systemtic Name: tert-butyl N-[(1E)-1-[2-(1-adamantyl)-2-oxidanylidene-ethylidene]-3,3-dimethyl-2,4-dihydroisoquinolin-6-yl]carbamate Openeye Name: tert-butyl N-[(1E)-1-[2-(1-adamantyl)-2-oxo-ethylidene]-3,3-dimethyl-2,4-dihydroisoquinolin-6-yl]carbamate CAS Name: N-[(1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-3,3-dimethyl-2,4-dihydroisoquinolin-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-3,3-dimethyl-2,4-dihydroisoquinolin-6-yl]carbamate Traditional Name: N-[(1E)-1-[2-(1-adamantyl)-2-keto-ethylidene]-3,3-dimethyl-2,4-dihydroisoquinolin-6-yl]carbamic acid tert-butyl ester Formula: C28H38N2O3 MolecularWeight: 450.61292

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2)NC(=O)OC(C)(C)C)C(=CC(=O)C34CC5CC(C3)CC(C5)C4)N1)C

Isomeric SMILES

CC1(CC2=C(C=CC(=C2)NC(=O)OC(C)(C)C)/C(=C\C(=O)C34CC5CC(C3)CC(C5)C4)/N1)C

InChI

InChI=1S/C28H38N2O3/c1-26(2,3)33-25(32)29-21-6-7-22-20(11-21)16-27(4,5)30-23(22)12-24(31)28-13-17-8-18(14-28)10-19(9-17)15-28/h6-7,11-12,17-19,30H,8-10,13-16H2,1-5H3,(H,29,32)/b23-12+