3,5-dimethyladamantan-1-amine; (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid

Systemtic Name: 3,5-dimethyladamantan-1-amine; (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid Openeye Name: 3,5-dimethyladamantan-1-amine; (2S)-2-(6-methoxy-2-naphthyl)propanoic acid CAS Name: 3,5-dimethyl-1-adamantanamine; (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid IUPAC Name: 3,5-dimethyladamantan-1-amine; (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid Traditional Name: (3,5-dimethyl-1-adamantyl)amine; (2S)-2-(6-methoxy-2-naphthyl)propionic acid Formula: C26H35NO3 MolecularWeight: 409.561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O.CC12CC3CC(C1)(CC(C3)(C2)N)C

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O.CC12CC3CC(C1)(CC(C3)(C2)N)C

InChI

InChI=1S/C14H14O3.C12H21N/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h3-9H,1-2H3,(H,15,16);9H,3-8,13H2,1-2H3/t9-;/m0./s1