[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(4-allyl-2-methoxy-phenoxy)acetate CAS Name: 2-(2-methoxy-4-prop-2-enylphenoxy)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate Traditional Name: 2-(4-allyl-2-methoxy-phenoxy)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)COC4=C(C=C(C=C4)CC=C)OC

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)COC4=C(C=C(C=C4)CC=C)OC

InChI

InChI=1S/C25H33NO5/c1-4-5-17-6-7-21(22(11-17)29-3)30-15-23(27)31-16(2)24(28)26-25-12-18-8-19(13-25)10-20(9-18)14-25/h4,6-7,11,16,18-20H,1,5,8-10,12-15H2,2-3H3,(H,26,28)/t16-,18?,19?,20?,25?/m1/s1