(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C23H28ClNO5 MolecularWeight: 433.92512

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)Cl)OC1

InChI

InChI=1S/C23H28ClNO5/c24-18-7-17(8-19-21(18)29-3-1-2-28-19)13-30-20(26)12-25-22(27)23-9-14-4-15(10-23)6-16(5-14)11-23/h7-8,14-16H,1-6,9-13H2,(H,25,27)