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

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methoxyphenyl)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(4-methoxyphenyl)acetate CAS Name: 2-(4-methoxyphenyl)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate Traditional Name: 2-(4-methoxyphenyl)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC=C(C=C4)OC

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H29NO4/c1-14(27-20(24)10-15-3-5-19(26-2)6-4-15)21(25)23-22-11-16-7-17(12-22)9-18(8-16)13-22/h3-6,14,16-18H,7-13H2,1-2H3,(H,23,25)/t14-,16?,17?,18?,22?/m1/s1