dimethyl 1-methyl-5,8-diphenyl-2-azabicyclo[2.2.2]oct-2-ene-4,6-dicarboxylate

Systemtic Name: dimethyl 1-methyl-5,8-diphenyl-2-azabicyclo[2.2.2]oct-2-ene-4,6-dicarboxylate Openeye Name: dimethyl 1-methyl-5,8-diphenyl-2-azabicyclo[2.2.2]oct-2-ene-4,6-dicarboxylate CAS Name: 1-methyl-5,8-diphenyl-2-azabicyclo[2.2.2]oct-2-ene-4,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-methyl-5,8-diphenyl-2-azabicyclo[2.2.2]oct-2-ene-4,6-dicarboxylate Traditional Name: 1-methyl-5,8-diphenyl-2-azabicyclo[2.2.2]oct-2-ene-4,6-dicarboxylic acid dimethyl ester Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C(C=N1)(C(C2C(=O)OC)C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC12CC(C(C=N1)(C(C2C(=O)OC)C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H25NO4/c1-23-14-18(16-10-6-4-7-11-16)24(15-25-23,22(27)29-3)19(20(23)21(26)28-2)17-12-8-5-9-13-17/h4-13,15,18-20H,14H2,1-3H3