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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO4/c1-2-20(28-19-6-4-3-5-7-19)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