[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3/c1-16(20-5-3-2-4-6-20)7-22(26)27-14-21(25)24-15-23-11-17-8-18(12-23)10-19(9-17)13-23/h2-6,16-19H,7-15H2,1H3,(H,24,25)/t16-,17?,18?,19?,23?/m1/s1