[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 4-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzoate CAS Name: 4-[[(2R)-2-oxolanyl]methoxy]benzoic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate Traditional Name: 4-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzoic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=C(C=C2)C(=O)OCC(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1C[C@@H](OC1)COC2=CC=C(C=C2)C(=O)OCC(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H31NO5/c26-22(25-23-18-9-15-8-16(11-18)12-19(23)10-15)14-30-24(27)17-3-5-20(6-4-17)29-13-21-2-1-7-28-21/h3-6,15-16,18-19,21,23H,1-2,7-14H2,(H,25,26)/t15?,16?,18?,19?,21-,23?/m1/s1