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

Systemtic Name: 3-[2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-keto-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)O)C4CCCCC4

Isomeric SMILES

CCOCCN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)O)C4CCCCC4

InChI

InChI=1S/C27H32N4O5/c1-2-36-16-15-30-23-14-7-6-13-22(23)25(19-9-4-3-5-10-19)29-31(27(30)35)18-24(32)28-21-12-8-11-20(17-21)26(33)34/h6-8,11-14,17,19H,2-5,9-10,15-16,18H2,1H3,(H,28,32)(H,33,34)