ethyl 2-[7-chloranyl-1-(2,2-dimethyl-3-oxidanyl-propyl)-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoate

Systemtic Name: ethyl 2-[7-chloranyl-1-(2,2-dimethyl-3-oxidanyl-propyl)-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoate Openeye Name: ethyl 2-[7-chloro-1-(3-hydroxy-2,2-dimethyl-propyl)-5-(1-naphthyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate CAS Name: 2-[7-chloro-1-(3-hydroxy-2,2-dimethylpropyl)-5-(1-naphthalenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-chloro-1-(3-hydroxy-2,2-dimethylpropyl)-5-naphthalen-1-yl-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate Traditional Name: 2-[7-chloro-1-(3-hydroxy-2,2-dimethyl-propyl)-2-keto-5-(1-naphthyl)-5H-4,1-benzoxazepin-3-yl]acetic acid ethyl ester Formula: C28H30ClNO5 MolecularWeight: 495.9945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(O1)C3=CC=CC4=CC=CC=C43)CC(C)(C)CO

Isomeric SMILES

CCOC(=O)CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(O1)C3=CC=CC4=CC=CC=C43)CC(C)(C)CO

InChI

InChI=1S/C28H30ClNO5/c1-4-34-25(32)15-24-27(33)30(16-28(2,3)17-31)23-13-12-19(29)14-22(23)26(35-24)21-11-7-9-18-8-5-6-10-20(18)21/h5-14,24,26,31H,4,15-17H2,1-3H3