[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-propan-2-yloxybenzoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-propan-2-yloxybenzoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO4/c1-14(2)27-20-6-4-19(5-7-20)22(26)28-15(3)21(25)24-23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,14-18H,8-13H2,1-3H3,(H,24,25)/t15-,16?,17?,18?,23?/m1/s1