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

Systemtic Name: 2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoic acid Openeye Name: 2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid CAS Name: 2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid IUPAC Name: 2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid Traditional Name: 2-[5-cyclohexyl-2-keto-1-(2-keto-3,3-dimethyl-butyl)-1,3,4-benzotriazepin-3-yl]acetic acid Formula: C22H29N3O4 MolecularWeight: 399.48336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-22(2,3)18(26)13-24-17-12-8-7-11-16(17)20(15-9-5-4-6-10-15)23-25(21(24)29)14-19(27)28/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3,(H,27,28)