methyl 4-[[7-[(2S)-2-oxidanyl-1-phenoxy-propan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate

Systemtic Name: methyl 4-[[7-[(2S)-2-oxidanyl-1-phenoxy-propan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate Openeye Name: methyl 4-[[7-[(1S)-1-hydroxy-1-methyl-2-phenoxy-ethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate CAS Name: 4-[[7-[(2S)-2-hydroxy-1-phenoxypropan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[7-[(2S)-2-hydroxy-1-phenoxypropan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate Traditional Name: 4-[[7-[(1S)-1-hydroxy-1-methyl-2-phenoxy-ethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid methyl ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1)(C2=CC3=C(C=C2)OCCN(C3)CC4=CC=C(C=C4)C(=O)OC)O

Isomeric SMILES

C[C@@](COC1=CC=CC=C1)(C2=CC3=C(C=C2)OCCN(C3)CC4=CC=C(C=C4)C(=O)OC)O

InChI

InChI=1S/C27H29NO5/c1-27(30,19-33-24-6-4-3-5-7-24)23-12-13-25-22(16-23)18-28(14-15-32-25)17-20-8-10-21(11-9-20)26(29)31-2/h3-13,16,30H,14-15,17-19H2,1-2H3/t27-/m1/s1