(E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-(2,3-dihydroindol-1-ylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-(2,3-dihydroindol-1-ylcarbonyl)prop-2-enenitrile Openeye Name: (E)-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-2-(indoline-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-[2,3-dihydroindol-1-yl(oxo)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-(2,3-dihydroindole-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzoxy-3-bromo-5-methoxy-phenyl)-2-(indoline-1-carbonyl)acrylonitrile Formula: C26H21BrN2O3 MolecularWeight: 489.36054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)N2CCC3=CC=CC=C32)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)N2CCC3=CC=CC=C32)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C26H21BrN2O3/c1-31-24-15-19(14-22(27)25(24)32-17-18-7-3-2-4-8-18)13-21(16-28)26(30)29-12-11-20-9-5-6-10-23(20)29/h2-10,13-15H,11-12,17H2,1H3/b21-13+