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

Systemtic Name: 2-[7-chloranyl-1-[2-(hydroxymethyl)-2-methyl-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-(hydroxymethyl)-2-methyl-propyl]-5-(1-naphthyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid CAS Name: 2-[7-chloro-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-5-(1-naphthalenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid IUPAC Name: 2-[7-chloro-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-5-naphthalen-1-yl-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid Traditional Name: 2-[7-chloro-1-(3-hydroxy-2-methyl-2-methylol-propyl)-2-keto-5-(1-naphthyl)-5H-4,1-benzoxazepin-3-yl]acetic acid Formula: C26H26ClNO6 MolecularWeight: 483.94074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClNO6/c1-26(14-29,15-30)13-28-21-10-9-17(27)11-20(21)24(34-22(25(28)33)12-23(31)32)19-8-4-6-16-5-2-3-7-18(16)19/h2-11,22,24,29-30H,12-15H2,1H3,(H,31,32)