[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (2R)-2-(4-cyanophenoxy)propanoate CAS Name: (2R)-2-(4-cyanophenoxy)propanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate Traditional Name: (2R)-2-(4-cyanophenoxy)propionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H28N2O4/c1-15(29-20-4-2-16(12-24)3-5-20)22(27)28-13-21(26)25-14-23-9-17-6-18(10-23)8-19(7-17)11-23/h2-5,15,17-19H,6-11,13-14H2,1H3,(H,25,26)/t15-,17?,18?,19?,23?/m1/s1