2-[1-adamantyl(phenylmethoxycarbonyl)amino]ethanoic acid

Systemtic Name: 2-[1-adamantyl(phenylmethoxycarbonyl)amino]ethanoic acid Openeye Name: 2-[1-adamantyl(benzyloxycarbonyl)amino]acetic acid CAS Name: 2-[1-adamantyl(phenylmethoxycarbonyl)amino]acetic acid IUPAC Name: 2-[1-adamantyl(phenylmethoxycarbonyl)amino]acetic acid Traditional Name: 2-[1-adamantyl(carbobenzoxy)amino]acetic acid Formula: C20H25NO4 MolecularWeight: 343.4168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC(=O)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC(=O)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H25NO4/c22-18(23)12-21(19(24)25-13-14-4-2-1-3-5-14)20-9-15-6-16(10-20)8-17(7-15)11-20/h1-5,15-17H,6-13H2,(H,22,23)