[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-phenylbutanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-phenylbutanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31NO3/c1-2-20(19-6-4-3-5-7-19)22(26)27-14-21(25)24-15-23-11-16-8-17(12-23)10-18(9-16)13-23/h3-7,16-18,20H,2,8-15H2,1H3,(H,24,25)/t16?,17?,18?,20-,23?/m1/s1