2-[4-[2-(1-adamantylamino)-2-oxidanylidene-ethoxy]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-(1-adamantylamino)-2-oxidanylidene-ethoxy]phenyl]ethanoic acid Openeye Name: 2-[4-[2-(1-adamantylamino)-2-oxo-ethoxy]phenyl]acetic acid CAS Name: 2-[4-[2-(1-adamantylamino)-2-oxoethoxy]phenyl]acetic acid IUPAC Name: 2-[4-[2-(1-adamantylamino)-2-oxoethoxy]phenyl]acetic acid Traditional Name: 2-[4-[2-(1-adamantylamino)-2-keto-ethoxy]phenyl]acetic acid Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC4=CC=C(C=C4)CC(=O)O

InChI

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