[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)O[C@H](C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29N3O3/c1-15-7-8-25-27(15)21-5-3-20(4-6-21)23(29)30-16(2)22(28)26-24-12-17-9-18(13-24)11-19(10-17)14-24/h3-8,16-19H,9-14H2,1-2H3,(H,26,28)/t16-,17?,18?,19?,24?/m1/s1