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

Systemtic Name: 2-[1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-5-cyclohexyl-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoic acid Openeye Name: 2-[1-[2-(1-adamantyl)-2-oxo-ethyl]-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid CAS Name: 2-[1-[2-(1-adamantyl)-2-oxoethyl]-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid IUPAC Name: 2-[1-[2-(1-adamantyl)-2-oxoethyl]-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid Traditional Name: 2-[1-[2-(1-adamantyl)-2-keto-ethyl]-5-cyclohexyl-2-keto-1,3,4-benzotriazepin-3-yl]acetic acid Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CC(=O)C45CC6CC(C4)CC(C6)C5)CC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CC(=O)C45CC6CC(C4)CC(C6)C5)CC(=O)O

InChI

InChI=1S/C28H35N3O4/c32-24(28-13-18-10-19(14-28)12-20(11-18)15-28)16-30-23-9-5-4-8-22(23)26(21-6-2-1-3-7-21)29-31(27(30)35)17-25(33)34/h4-5,8-9,18-21H,1-3,6-7,10-17H2,(H,33,34)