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

Systemtic Name: 2-[5-cyclohexyl-1-(2-cyclohexyl-2-oxidanylidene-ethyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoic acid Openeye Name: 2-[5-cyclohexyl-1-(2-cyclohexyl-2-oxo-ethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid CAS Name: 2-[5-cyclohexyl-1-(2-cyclohexyl-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid IUPAC Name: 2-[5-cyclohexyl-1-(2-cyclohexyl-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid Traditional Name: 2-[5-cyclohexyl-1-(2-cyclohexyl-2-keto-ethyl)-2-keto-1,3,4-benzotriazepin-3-yl]acetic acid Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CC(=O)C4CCCCC4)CC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CC(=O)C4CCCCC4)CC(=O)O

InChI

InChI=1S/C24H31N3O4/c28-21(17-9-3-1-4-10-17)15-26-20-14-8-7-13-19(20)23(18-11-5-2-6-12-18)25-27(24(26)31)16-22(29)30/h7-8,13-14,17-18H,1-6,9-12,15-16H2,(H,29,30)