[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(1,2-benzoxazol-3-yl)ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(1,2-benzoxazol-3-yl)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(1,2-benzoxazol-3-yl)acetate CAS Name: 2-(1,2-benzoxazol-3-yl)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate Traditional Name: 2-indoxazen-3-ylacetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=NOC5=CC=CC=C54

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=NOC5=CC=CC=C54

InChI

InChI=1S/C22H26N2O4/c1-13(27-20(25)9-18-17-4-2-3-5-19(17)28-24-18)21(26)23-22-10-14-6-15(11-22)8-16(7-14)12-22/h2-5,13-16H,6-12H2,1H3,(H,23,26)/t13-,14?,15?,16?,22?/m1/s1