[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-chloranylphenoxy)propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-chloranylphenoxy)propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (2R)-2-(4-chlorophenoxy)propanoate CAS Name: (2R)-2-(4-chlorophenoxy)propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate Traditional Name: (2R)-2-(4-chlorophenoxy)propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H26ClNO4 MolecularWeight: 391.88844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)Cl

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H26ClNO4/c1-13(27-18-4-2-17(22)3-5-18)20(25)26-12-19(24)23-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,13-16H,6-12H2,1H3,(H,23,24)/t13-,14?,15?,16?,21?/m1/s1