N-[(E)-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-2-phenoxy-ethanamide

Systemtic Name: N-[(E)-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-2-phenoxy-ethanamide Openeye Name: N-[(E)-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-2-phenoxy-acetamide CAS Name: N-[(E)-[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-2-phenoxyacetamide IUPAC Name: N-[(E)-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-2-phenoxyacetamide Traditional Name: N-[(E)-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-2-phenoxy-acetamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)COC3=CC=CC=C3)CCC2)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)COC3=CC=CC=C3)/CCC2)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H27N3O4/c1-18-25-22(28-29-24(31)17-33-21-10-3-2-4-11-21)12-7-13-23(25)34-26(18)27(32)30-15-14-19-8-5-6-9-20(19)16-30/h2-6,8-11H,7,12-17H2,1H3,(H,29,31)/b28-22+