2-[5-cyclohexyl-2-oxidanylidene-1-(2-oxidanylidenepropyl)-1,3,4-benzotriazepin-3-yl]ethanoic acid

Systemtic Name: 2-[5-cyclohexyl-2-oxidanylidene-1-(2-oxidanylidenepropyl)-1,3,4-benzotriazepin-3-yl]ethanoic acid Openeye Name: 2-(1-acetonyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetic acid CAS Name: 2-[5-cyclohexyl-2-oxo-1-(2-oxopropyl)-1,3,4-benzotriazepin-3-yl]acetic acid IUPAC Name: 2-[5-cyclohexyl-2-oxo-1-(2-oxopropyl)-1,3,4-benzotriazepin-3-yl]acetic acid Traditional Name: 2-(1-acetonyl-5-cyclohexyl-2-keto-1,3,4-benzotriazepin-3-yl)acetic acid Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)O)C3CCCCC3

Isomeric SMILES

CC(=O)CN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)O)C3CCCCC3

InChI

InChI=1S/C19H23N3O4/c1-13(23)11-21-16-10-6-5-9-15(16)18(14-7-3-2-4-8-14)20-22(19(21)26)12-17(24)25/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,24,25)