(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)OCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)OCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H26N4O4/c27-19(11-22-8-14-5-15(9-22)7-16(6-14)10-22)23-12-20(28)30-13-26-21(29)17-3-1-2-4-18(17)24-25-26/h1-4,14-16H,5-13H2,(H,23,27)