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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(3-methylphenoxy)propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-(3-methylphenoxy)propanoate CAS Name: 3-(3-methylphenoxy)propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate Traditional Name: 3-(3-methylphenoxy)propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/c1-15-3-2-4-19(7-15)26-6-5-21(25)27-14-20(24)23-22-11-16-8-17(12-22)10-18(9-16)13-22/h2-4,7,16-18H,5-6,8-14H2,1H3,(H,23,24)