2-[(1-ethoxycarbonyl-4-bicyclo[2.2.2]octanyl)-phenylmethoxycarbonyl-amino]ethanoic acid

Systemtic Name: 2-[(1-ethoxycarbonyl-4-bicyclo[2.2.2]octanyl)-phenylmethoxycarbonyl-amino]ethanoic acid Openeye Name: 2-[benzyloxycarbonyl-(1-ethoxycarbonyl-4-bicyclo[2.2.2]octanyl)amino]acetic acid CAS Name: 2-[(1-ethoxycarbonyl-4-bicyclo[2.2.2]octanyl)-phenylmethoxycarbonylamino]acetic acid IUPAC Name: 2-[(1-ethoxycarbonyl-4-bicyclo[2.2.2]octanyl)-phenylmethoxycarbonylamino]acetic acid Traditional Name: 2-[(1-carbethoxy-4-bicyclo[2.2.2]octanyl)-carbobenzoxy-amino]acetic acid Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCC(CC1)(CC2)N(CC(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C12CCC(CC1)(CC2)N(CC(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27NO6/c1-2-27-18(25)20-8-11-21(12-9-20,13-10-20)22(14-17(23)24)19(26)28-15-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3,(H,23,24)