[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)O[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H33NO4/c1-15-4-5-16(2)21(8-15)22(27)6-7-23(28)30-17(3)24(29)26-25-12-18-9-19(13-25)11-20(10-18)14-25/h4-5,8,17-20H,6-7,9-14H2,1-3H3,(H,26,29)/t17-,18?,19?,20?,25?/m1/s1