tert-butyl (1E)-3-cyclohexyl-1-[(4-methoxyphenyl)methylidene]isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (1E)-3-cyclohexyl-1-[(4-methoxyphenyl)methylidene]isoquinoline-2-carboxylate Openeye Name: tert-butyl (1E)-3-cyclohexyl-1-[(4-methoxyphenyl)methylene]isoquinoline-2-carboxylate CAS Name: (1E)-3-cyclohexyl-1-[(4-methoxyphenyl)methylidene]-2-isoquinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1E)-3-cyclohexyl-1-[(4-methoxyphenyl)methylidene]isoquinoline-2-carboxylate Traditional Name: (1E)-3-cyclohexyl-1-p-anisylidene-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C28H33NO3 MolecularWeight: 431.56652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC2=CC=CC=C2C1=CC3=CC=C(C=C3)OC)C4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N\1C(=CC2=CC=CC=C2/C1=C\C3=CC=C(C=C3)OC)C4CCCCC4

InChI

InChI=1S/C28H33NO3/c1-28(2,3)32-27(30)29-25(21-10-6-5-7-11-21)19-22-12-8-9-13-24(22)26(29)18-20-14-16-23(31-4)17-15-20/h8-9,12-19,21H,5-7,10-11H2,1-4H3/b26-18+