2-[4-[(1-adamantylamino)methyl]-5-chloranyl-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(1-adamantylamino)methyl]-5-chloranyl-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[(1-adamantylamino)methyl]-5-chloro-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[(1-adamantylamino)methyl]-5-chloro-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(1-adamantylamino)methyl]-5-chloro-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(1-adamantylamino)methyl]-5-chloro-2-methoxy-phenoxy]acetic acid Formula: C20H26ClNO4 MolecularWeight: 379.87774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CNC23CC4CC(C2)CC(C4)C3)Cl)OCC(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)CNC23CC4CC(C2)CC(C4)C3)Cl)OCC(=O)O

InChI

InChI=1S/C20H26ClNO4/c1-25-17-5-15(16(21)6-18(17)26-11-19(23)24)10-22-20-7-12-2-13(8-20)4-14(3-12)9-20/h5-6,12-14,22H,2-4,7-11H2,1H3,(H,23,24)