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

Systemtic Name: 2-[5-cyclohexyl-1-[2-(1-methylcyclohexyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoic acid Openeye Name: 2-[5-cyclohexyl-1-[2-(1-methylcyclohexyl)-2-oxo-ethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid CAS Name: 2-[5-cyclohexyl-1-[2-(1-methylcyclohexyl)-2-oxoethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid IUPAC Name: 2-[5-cyclohexyl-1-[2-(1-methylcyclohexyl)-2-oxoethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid Traditional Name: 2-[5-cyclohexyl-2-keto-1-[2-keto-2-(1-methylcyclohexyl)ethyl]-1,3,4-benzotriazepin-3-yl]acetic acid Formula: C25H33N3O4 MolecularWeight: 439.54722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C(=O)CN2C3=CC=CC=C3C(=NN(C2=O)CC(=O)O)C4CCCCC4

Isomeric SMILES

CC1(CCCCC1)C(=O)CN2C3=CC=CC=C3C(=NN(C2=O)CC(=O)O)C4CCCCC4

InChI

InChI=1S/C25H33N3O4/c1-25(14-8-3-9-15-25)21(29)16-27-20-13-7-6-12-19(20)23(18-10-4-2-5-11-18)26-28(24(27)32)17-22(30)31/h6-7,12-13,18H,2-5,8-11,14-17H2,1H3,(H,30,31)