2-(4-chloranylphenoxy)ethyl 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: 2-(4-chloranylphenoxy)ethyl 3-(1-adamantylcarbonylamino)propanoate Openeye Name: 2-(4-chlorophenoxy)ethyl 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid 2-(4-chlorophenoxy)ethyl ester IUPAC Name: 2-(4-chlorophenoxy)ethyl 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid 2-(4-chlorophenoxy)ethyl ester Formula: C22H28ClNO4 MolecularWeight: 405.91502

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OCCOC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OCCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H28ClNO4/c23-18-1-3-19(4-2-18)27-7-8-28-20(25)5-6-24-21(26)22-12-15-9-16(13-22)11-17(10-15)14-22/h1-4,15-17H,5-14H2,(H,24,26)