[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-phenylpropanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-phenylpropanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCC4=CC=CC=C4

InChI

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