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

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-methoxybenzoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-13(26-20(24)17-4-3-5-18(9-17)25-2)19(23)22-21-10-14-6-15(11-21)8-16(7-14)12-21/h3-5,9,13-16H,6-8,10-12H2,1-2H3,(H,22,23)/t13-,14?,15?,16?,21?/m1/s1