2,6-ditert-butyl-4-[4-(2-isoquinolin-6-yloxyethyl)-3H-1,3-oxazol-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[4-(2-isoquinolin-6-yloxyethyl)-3H-1,3-oxazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[4-[2-(6-isoquinolyloxy)ethyl]-3H-oxazol-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[4-[2-(6-isoquinolinyloxy)ethyl]-3H-oxazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[4-(2-isoquinolin-6-yloxyethyl)-3H-1,3-oxazol-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[4-[2-(6-isoquinolyloxy)ethyl]-4-oxazolin-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2NC(=CO2)CCOC3=CC4=C(C=C3)C=NC=C4)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2NC(=CO2)CCOC3=CC4=C(C=C3)C=NC=C4)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C28H32N2O3/c1-27(2,3)23-14-20(15-24(25(23)31)28(4,5)6)26-30-21(17-33-26)10-12-32-22-8-7-19-16-29-11-9-18(19)13-22/h7-9,11,13-17,30H,10,12H2,1-6H3