N-methylmethanamine; phenyl 4-phenyl-1,2,3,4,5,7a-hexahydroisoindole-3a-carboxylate

Systemtic Name: N-methylmethanamine; phenyl 4-phenyl-1,2,3,4,5,7a-hexahydroisoindole-3a-carboxylate Openeye Name: N-methylmethanamine; phenyl 4-phenyl-1,2,3,4,5,7a-hexahydroisoindole-3a-carboxylate CAS Name: N-methylmethanamine; 4-phenyl-1,2,3,4,5,7a-hexahydroisoindole-3a-carboxylic acid phenyl ester IUPAC Name: N-methylmethanamine; phenyl 4-phenyl-1,2,3,4,5,7a-hexahydroisoindole-3a-carboxylate Traditional Name: dimethylamine; 4-phenyl-1,2,3,4,5,7a-hexahydroisoindole-3a-carboxylic acid phenyl ester Formula: C23H28N2O2 MolecularWeight: 364.48062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC.C1C=CC2CNCC2(C1C3=CC=CC=C3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CNC.C1C=CC2CNCC2(C1C3=CC=CC=C3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C21H21NO2.C2H7N/c23-20(24-18-11-5-2-6-12-18)21-15-22-14-17(21)10-7-13-19(21)16-8-3-1-4-9-16;1-3-2/h1-12,17,19,22H,13-15H2;3H,1-2H3