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phenanthridin-6-ylmethyl 3-(3,4-dimethoxyphenyl)propanoate

phenanthridin-6-ylmethyl 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name:phenanthridin-6-ylmethyl 3-(3,4-dimethoxyphenyl)propanoate
Openeye Name:phenanthridin-6-ylmethyl 3-(3,4-dimethoxyphenyl)propanoate
CAS Name:3-(3,4-dimethoxyphenyl)propanoic acid 6-phenanthridinylmethyl ester
IUPAC Name:phenanthridin-6-ylmethyl 3-(3,4-dimethoxyphenyl)propanoate
Traditional Name:3-(3,4-dimethoxyphenyl)propionic acid phenanthridin-6-ylmethyl ester
Formula: C25H23NO4
MolecularWeight: 401.45442
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C25H23NO4/c1-28-23-13-11-17(15-24(23)29-2)12-14-25(27)30-16-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)26-22/h3-11,13,15H,12,14,16H2,1-2H3


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