methyl 1-[[4-(3,3-dimethylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[4-(3,3-dimethylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[4-(3,3-dimethylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-(3,3-dimethyl-1-oxobutyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(3,3-dimethylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(3,3-dimethylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]isonipecotic acid methyl ester Formula: C23H34N2O4 MolecularWeight: 402.52706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCOC2=C(C1)C=C(C=C2)CN3CCC(CC3)C(=O)OC

Isomeric SMILES

CC(C)(C)CC(=O)N1CCOC2=C(C1)C=C(C=C2)CN3CCC(CC3)C(=O)OC

InChI

InChI=1S/C23H34N2O4/c1-23(2,3)14-21(26)25-11-12-29-20-6-5-17(13-19(20)16-25)15-24-9-7-18(8-10-24)22(27)28-4/h5-6,13,18H,7-12,14-16H2,1-4H3