(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-phenyladamantane-1-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-phenyladamantane-1-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C26H27ClO4 MolecularWeight: 438.94318

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC4=C5C(=CC(=C4)Cl)COCO5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC4=C5C(=CC(=C4)Cl)COCO5)C6=CC=CC=C6

InChI

InChI=1S/C26H27ClO4/c27-22-7-19-13-29-16-31-23(19)20(8-22)14-30-24(28)26-11-17-6-18(12-26)10-25(9-17,15-26)21-4-2-1-3-5-21/h1-5,7-8,17-18H,6,9-16H2