[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C1=C(C=CC(=C1)OC)OC)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31NO5/c1-14(19-9-18(27-2)4-5-20(19)28-3)24-21(25)13-29-22(26)23-10-15-6-16(11-23)8-17(7-15)12-23/h4-5,9,14-17H,6-8,10-13H2,1-3H3,(H,24,25)/t14-,15?,16?,17?,23?/m1/s1