[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 3,4-bis(chloranyl)benzoate

Systemtic Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 3,4-bis(chloranyl)benzoate Openeye Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H25Cl2NO3 MolecularWeight: 410.3341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H25Cl2NO3/c1-12(21-8-13-4-14(9-21)6-15(5-13)10-21)24-19(25)11-27-20(26)16-2-3-17(22)18(23)7-16/h2-3,7,12-15H,4-6,8-11H2,1H3,(H,24,25)/t12-,13?,14?,15?,21?/m1/s1