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

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-chloranylbenzoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H24ClNO3 MolecularWeight: 361.86246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClNO3/c1-12(25-19(24)16-3-2-4-17(21)8-16)18(23)22-20-9-13-5-14(10-20)7-15(6-13)11-20/h2-4,8,12-15H,5-7,9-11H2,1H3,(H,22,23)/t12-,13?,14?,15?,20?/m1/s1