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

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)-2-(2,3-dihydroindol-1-ylcarbonyl)prop-2-enenitrile Openeye Name: (E)-3-(4-benzyloxy-3-chloro-5-ethoxy-phenyl)-2-(indoline-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-2-[2,3-dihydroindol-1-yl(oxo)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-2-(2,3-dihydroindole-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzoxy-3-chloro-5-ethoxy-phenyl)-2-(indoline-1-carbonyl)acrylonitrile Formula: C27H23ClN2O3 MolecularWeight: 458.93612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)N2CCC3=CC=CC=C32)Cl)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)N2CCC3=CC=CC=C32)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C27H23ClN2O3/c1-2-32-25-16-20(15-23(28)26(25)33-18-19-8-4-3-5-9-19)14-22(17-29)27(31)30-13-12-21-10-6-7-11-24(21)30/h3-11,14-16H,2,12-13,18H2,1H3/b22-14+