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

Systemtic Name: [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-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-2-carboxylate Traditional Name: adamantane-2-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)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

C[C@H](C1=C(C=CC(=C1)OC)OC)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C23H31NO5/c1-13(19-11-18(27-2)4-5-20(19)28-3)24-21(25)12-29-23(26)22-16-7-14-6-15(9-16)10-17(22)8-14/h4-5,11,13-17,22H,6-10,12H2,1-3H3,(H,24,25)/t13-,14?,15?,16?,17?,22?/m1/s1