2-(3,5-dimethyl-1-adamantyl)-2-[(2-oxidanyl-1-phenyl-ethyl)amino]ethanoic acid

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-2-[(2-oxidanyl-1-phenyl-ethyl)amino]ethanoic acid Openeye Name: 2-(3,5-dimethyl-1-adamantyl)-2-[(2-hydroxy-1-phenyl-ethyl)amino]acetic acid CAS Name: 2-(3,5-dimethyl-1-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid Traditional Name: 2-(3,5-dimethyl-1-adamantyl)-2-[(2-hydroxy-1-phenyl-ethyl)amino]acetic acid Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(C(=O)O)NC(CO)C4=CC=CC=C4)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)C(C(=O)O)NC(CO)C4=CC=CC=C4)C

InChI

InChI=1S/C22H31NO3/c1-20-8-15-9-21(2,12-20)14-22(10-15,13-20)18(19(25)26)23-17(11-24)16-6-4-3-5-7-16/h3-7,15,17-18,23-24H,8-14H2,1-2H3,(H,25,26)