2-(5-cyclohexyl-1-methyl-2-oxidanylidene-1,3,4-benzotriazepin-3-yl)ethanoic acid

Systemtic Name: 2-(5-cyclohexyl-1-methyl-2-oxidanylidene-1,3,4-benzotriazepin-3-yl)ethanoic acid Openeye Name: 2-(5-cyclohexyl-1-methyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetic acid CAS Name: 2-(5-cyclohexyl-1-methyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetic acid IUPAC Name: 2-(5-cyclohexyl-1-methyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetic acid Traditional Name: 2-(5-cyclohexyl-2-keto-1-methyl-1,3,4-benzotriazepin-3-yl)acetic acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-19-14-10-6-5-9-13(14)16(12-7-3-2-4-8-12)18-20(17(19)23)11-15(21)22/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,21,22)