phenyl 5-(2,5-dimethoxyphenyl)-2-azabicyclo[3.3.1]non-3-ene-2-carboxylate

Systemtic Name: phenyl 5-(2,5-dimethoxyphenyl)-2-azabicyclo[3.3.1]non-3-ene-2-carboxylate Openeye Name: phenyl 5-(2,5-dimethoxyphenyl)-2-azabicyclo[3.3.1]non-3-ene-2-carboxylate CAS Name: 5-(2,5-dimethoxyphenyl)-2-azabicyclo[3.3.1]non-3-ene-2-carboxylic acid phenyl ester IUPAC Name: phenyl 5-(2,5-dimethoxyphenyl)-2-azabicyclo[3.3.1]non-3-ene-2-carboxylate Traditional Name: 5-(2,5-dimethoxyphenyl)-2-azabicyclo[3.3.1]non-3-ene-2-carboxylic acid phenyl ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C23CCCC(C2)N(C=C3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C23CCCC(C2)N(C=C3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H25NO4/c1-26-19-10-11-21(27-2)20(15-19)23-12-6-7-17(16-23)24(14-13-23)22(25)28-18-8-4-3-5-9-18/h3-5,8-11,13-15,17H,6-7,12,16H2,1-2H3