1,3-benzodioxol-5-ylmethyl (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid piperonyl ester Formula: C26H27NO4 MolecularWeight: 417.49688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27NO4/c1-26(2,3)17-9-10-21-19(13-17)24(18-6-4-5-7-20(18)27-21)25(28)29-14-16-8-11-22-23(12-16)31-15-30-22/h4-8,11-12,17H,9-10,13-15H2,1-3H3/t17-/m0/s1