2-[7-chloranyl-1-(2,2-dimethylpropyl)-5-naphthalen-1-yl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]ethanoic acid

Systemtic Name: 2-[7-chloranyl-1-(2,2-dimethylpropyl)-5-naphthalen-1-yl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]ethanoic acid Openeye Name: 2-[7-chloro-1-(2,2-dimethylpropyl)-5-(1-naphthyl)-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]acetic acid CAS Name: 2-[7-chloro-1-(2,2-dimethylpropyl)-5-(1-naphthalenyl)-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]acetic acid IUPAC Name: 2-[7-chloro-1-(2,2-dimethylpropyl)-5-naphthalen-1-yl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]acetic acid Traditional Name: 2-[7-chloro-5-(1-naphthyl)-1-neopentyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]acetic acid Formula: C26H28ClNO3 MolecularWeight: 437.95842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CC(OC(C2=C1C=CC(=C2)Cl)C3=CC=CC4=CC=CC=C43)CC(=O)O

Isomeric SMILES

CC(C)(C)CN1CC(OC(C2=C1C=CC(=C2)Cl)C3=CC=CC4=CC=CC=C43)CC(=O)O

InChI

InChI=1S/C26H28ClNO3/c1-26(2,3)16-28-15-19(14-24(29)30)31-25(22-13-18(27)11-12-23(22)28)21-10-6-8-17-7-4-5-9-20(17)21/h4-13,19,25H,14-16H2,1-3H3,(H,29,30)