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

Systemtic Name: 2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoic acid Openeye Name: 2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid CAS Name: 2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid IUPAC Name: 2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid Traditional Name: 2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-keto-1,3,4-benzotriazepin-3-yl]acetic acid Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)O)C3CCCCC3

Isomeric SMILES

CCOCCN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)O)C3CCCCC3

InChI

InChI=1S/C20H27N3O4/c1-2-27-13-12-22-17-11-7-6-10-16(17)19(15-8-4-3-5-9-15)21-23(20(22)26)14-18(24)25/h6-7,10-11,15H,2-5,8-9,12-14H2,1H3,(H,24,25)