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

Systemtic Name: methyl 4-[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]oxybenzoate Openeye Name: methyl 4-[(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 4-[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]oxybenzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 4-[(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethoxy]benzoic acid methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)C(=O)OC

InChI

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