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

Systemtic Name: 2-[7-chloranyl-1-(2,2-dimethyl-3-oxidanyl-propyl)-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoic acid Openeye Name: 2-[7-chloro-1-(3-hydroxy-2,2-dimethyl-propyl)-5-(1-naphthyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid CAS Name: 2-[7-chloro-1-(3-hydroxy-2,2-dimethylpropyl)-5-(1-naphthalenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid IUPAC Name: 2-[7-chloro-1-(3-hydroxy-2,2-dimethylpropyl)-5-naphthalen-1-yl-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid 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 Formula: C26H26ClNO5 MolecularWeight: 467.94134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)O)C3=CC=CC4=CC=CC=C43)CO

Isomeric SMILES

CC(C)(CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)O)C3=CC=CC4=CC=CC=C43)CO

InChI

InChI=1S/C26H26ClNO5/c1-26(2,15-29)14-28-21-11-10-17(27)12-20(21)24(33-22(25(28)32)13-23(30)31)19-9-5-7-16-6-3-4-8-18(16)19/h3-12,22,24,29H,13-15H2,1-2H3,(H,30,31)