tert-butyl 1-[2-(dimethylamino)-1-methoxy-4-oxidanylidene-3-phenyl-cyclobut-2-en-1-yl]-1,3-dihydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 1-[2-(dimethylamino)-1-methoxy-4-oxidanylidene-3-phenyl-cyclobut-2-en-1-yl]-1,3-dihydroisoindole-2-carboxylate Openeye Name: tert-butyl 1-[2-(dimethylamino)-1-methoxy-4-oxo-3-phenyl-cyclobut-2-en-1-yl]isoindoline-2-carboxylate CAS Name: 1-[2-(dimethylamino)-1-methoxy-4-oxo-3-phenyl-1-cyclobut-2-enyl]-1,3-dihydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(dimethylamino)-1-methoxy-4-oxo-3-phenylcyclobut-2-en-1-yl]-1,3-dihydroisoindole-2-carboxylate Traditional Name: 1-[2-(dimethylamino)-4-keto-1-methoxy-3-phenyl-cyclobut-2-en-1-yl]isoindoline-2-carboxylic acid tert-butyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C1C3(C(=C(C3=O)C4=CC=CC=C4)N(C)C)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C1C3(C(=C(C3=O)C4=CC=CC=C4)N(C)C)OC

InChI

InChI=1S/C26H30N2O4/c1-25(2,3)32-24(30)28-16-18-14-10-11-15-19(18)21(28)26(31-6)22(27(4)5)20(23(26)29)17-12-8-7-9-13-17/h7-15,21H,16H2,1-6H3