3-[2-(5-cyclohexyl-1-methyl-2-oxidanylidene-1,3,4-benzotriazepin-3-yl)ethanoylamino]benzoic acid

Systemtic Name: 3-[2-(5-cyclohexyl-1-methyl-2-oxidanylidene-1,3,4-benzotriazepin-3-yl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(5-cyclohexyl-1-methyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetyl]amino]benzoic acid CAS Name: 3-[[2-(5-cyclohexyl-1-methyl-2-oxo-1,3,4-benzotriazepin-3-yl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(5-cyclohexyl-1-methyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(5-cyclohexyl-2-keto-1-methyl-1,3,4-benzotriazepin-3-yl)acetyl]amino]benzoic acid Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)O)C4CCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)O)C4CCCCC4

InChI

InChI=1S/C24H26N4O4/c1-27-20-13-6-5-12-19(20)22(16-8-3-2-4-9-16)26-28(24(27)32)15-21(29)25-18-11-7-10-17(14-18)23(30)31/h5-7,10-14,16H,2-4,8-9,15H2,1H3,(H,25,29)(H,30,31)