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

Systemtic Name: methyl 1-[[4-(2-methoxy-2-phenyl-ethanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[4-(2-methoxy-2-phenyl-acetyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-(2-methoxy-1-oxo-2-phenylethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(2-methoxy-2-phenylacetyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(2-methoxy-2-phenyl-acetyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]isonipecotic acid methyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)C(=O)OC

Isomeric SMILES

COC(C1=CC=CC=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)C(=O)OC

InChI

InChI=1S/C26H32N2O5/c1-31-24(20-6-4-3-5-7-20)25(29)28-14-15-33-23-9-8-19(16-22(23)18-28)17-27-12-10-21(11-13-27)26(30)32-2/h3-9,16,21,24H,10-15,17-18H2,1-2H3