phenanthridin-6-ylmethyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: phenanthridin-6-ylmethyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: phenanthridin-6-ylmethyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,4,5-trimethoxyphenyl)-2-propenoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-asarylacrylic acid phenanthridin-6-ylmethyl ester Formula: C26H23NO5 MolecularWeight: 429.46452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)OC)OC

InChI

InChI=1S/C26H23NO5/c1-29-23-15-25(31-3)24(30-2)14-17(23)12-13-26(28)32-16-22-20-10-5-4-8-18(20)19-9-6-7-11-21(19)27-22/h4-15H,16H2,1-3H3/b13-12+