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

Systemtic Name: 2-[5-cyclohexyl-3-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-1,3,4-benzotriazepin-1-yl]ethanoic acid Openeye Name: 2-[5-cyclohexyl-3-(2-ethoxy-2-oxo-ethyl)-2-oxo-1,3,4-benzotriazepin-1-yl]acetic acid CAS Name: 2-[5-cyclohexyl-3-(2-ethoxy-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-1-yl]acetic acid IUPAC Name: 2-[5-cyclohexyl-3-(2-ethoxy-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-1-yl]acetic acid Traditional Name: 2-[5-cyclohexyl-3-(2-ethoxy-2-keto-ethyl)-2-keto-1,3,4-benzotriazepin-1-yl]acetic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCC3)CC(=O)O

Isomeric SMILES

CCOC(=O)CN1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCC3)CC(=O)O

InChI

InChI=1S/C20H25N3O5/c1-2-28-18(26)13-23-20(27)22(12-17(24)25)16-11-7-6-10-15(16)19(21-23)14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,24,25)