[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(3-methylphenoxy)butanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(3-methylphenoxy)butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31NO4/c1-16-4-2-5-20(8-16)27-7-3-6-22(26)28-15-21(25)24-23-12-17-9-18(13-23)11-19(10-17)14-23/h2,4-5,8,17-19H,3,6-7,9-15H2,1H3,(H,24,25)