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

Systemtic Name: 3-[2-[5-cyclohexyl-2-oxidanylidene-1-(2-oxidanylidenepropyl)-1,3,4-benzotriazepin-3-yl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-(1-acetonyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetyl]amino]benzoic acid CAS Name: 3-[[2-[5-cyclohexyl-2-oxo-1-(2-oxopropyl)-1,3,4-benzotriazepin-3-yl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[5-cyclohexyl-2-oxo-1-(2-oxopropyl)-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-(1-acetonyl-5-cyclohexyl-2-keto-1,3,4-benzotriazepin-3-yl)acetyl]amino]benzoic acid Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O5/c1-17(31)15-29-22-13-6-5-12-21(22)24(18-8-3-2-4-9-18)28-30(26(29)35)16-23(32)27-20-11-7-10-19(14-20)25(33)34/h5-7,10-14,18H,2-4,8-9,15-16H2,1H3,(H,27,32)(H,33,34)