ethyl 3-[(3S,5S)-2-oxidanylidene-5-phenyl-1-(phenylmethyl)-5H-4,1-benzoxazepin-3-yl]propanoate

Systemtic Name: ethyl 3-[(3S,5S)-2-oxidanylidene-5-phenyl-1-(phenylmethyl)-5H-4,1-benzoxazepin-3-yl]propanoate Openeye Name: ethyl 3-[(3S,5S)-1-benzyl-2-oxo-5-phenyl-5H-4,1-benzoxazepin-3-yl]propanoate CAS Name: 3-[(3S,5S)-2-oxo-5-phenyl-1-(phenylmethyl)-5H-4,1-benzoxazepin-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(3S,5S)-1-benzyl-2-oxo-5-phenyl-5H-4,1-benzoxazepin-3-yl]propanoate Traditional Name: 3-[(3S,5S)-1-benzyl-2-keto-5-phenyl-5H-4,1-benzoxazepin-3-yl]propionic acid ethyl ester Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1C(=O)N(C2=CC=CC=C2C(O1)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC[C@H]1C(=O)N(C2=CC=CC=C2[C@@H](O1)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H27NO4/c1-2-31-25(29)18-17-24-27(30)28(19-20-11-5-3-6-12-20)23-16-10-9-15-22(23)26(32-24)21-13-7-4-8-14-21/h3-16,24,26H,2,17-19H2,1H3/t24-,26-/m0/s1