[7-(2,2-dimethylpropanoyloxy)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl] 2,2-dimethylpropanoate

Systemtic Name: [7-(2,2-dimethylpropanoyloxy)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl] 2,2-dimethylpropanoate Openeye Name: [7-(2,2-dimethylpropanoyloxy)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [7-(2,2-dimethyl-1-oxopropoxy)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl] ester IUPAC Name: [7-(2,2-dimethylpropanoyloxy)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (5-phenyl-7-pivaloyloxy-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl) ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(C=C2C(CNCCC2=C1)C3=CC=CC=C3)OC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(C=C2C(CNCCC2=C1)C3=CC=CC=C3)OC(=O)C(C)(C)C

InChI

InChI=1S/C26H33NO4/c1-25(2,3)23(28)30-21-14-18-12-13-27-16-20(17-10-8-7-9-11-17)19(18)15-22(21)31-24(29)26(4,5)6/h7-11,14-15,20,27H,12-13,16H2,1-6H3