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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CC(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

InChI

InChI=1S/C22H29NO3/c1-15(19-5-3-2-4-6-19)7-21(25)26-14-20(24)23-22-11-16-8-17(12-22)10-18(9-16)13-22/h2-6,15-18H,7-14H2,1H3,(H,23,24)/t15-,16?,17?,18?,22?/m1/s1