phenanthridin-6-ylmethyl (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: phenanthridin-6-ylmethyl (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: phenanthridin-6-ylmethyl (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2-propenoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]acrylic acid phenanthridin-6-ylmethyl ester Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)OCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O5/c1-31-24-14-17(10-12-23(24)32-16-25(27)29)11-13-26(30)33-15-22-20-8-3-2-6-18(20)19-7-4-5-9-21(19)28-22/h2-14H,15-16H2,1H3,(H2,27,29)/b13-11+