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

Systemtic Name: 2-[5-cyclohexyl-1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoic acid Openeye Name: 2-[5-cyclohexyl-1-[2-(o-tolyl)-2-oxo-ethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid CAS Name: 2-[5-cyclohexyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid IUPAC Name: 2-[5-cyclohexyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid Traditional Name: 2-[5-cyclohexyl-2-keto-1-[2-keto-2-(o-tolyl)ethyl]-1,3,4-benzotriazepin-3-yl]acetic acid Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NN(C2=O)CC(=O)O)C4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NN(C2=O)CC(=O)O)C4CCCCC4

InChI

InChI=1S/C25H27N3O4/c1-17-9-5-6-12-19(17)22(29)15-27-21-14-8-7-13-20(21)24(18-10-3-2-4-11-18)26-28(25(27)32)16-23(30)31/h5-9,12-14,18H,2-4,10-11,15-16H2,1H3,(H,30,31)