4-[[[(2S)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[[(2S)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2S)-3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-butanoyl]amino]methyl]cyclohexanecarboxylate Formula: C20H25N4O4- MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1CCC(CC1)C(=O)[O-])N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1CCC(CC1)C(=O)[O-])N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H26N4O4/c1-12(2)17(24-19(26)15-5-3-4-6-16(15)22-23-24)18(25)21-11-13-7-9-14(10-8-13)20(27)28/h3-6,12-14,17H,7-11H2,1-2H3,(H,21,25)(H,27,28)/p-1/t13?,14?,17-/m0/s1