[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO3/c1-13(17-3-2-4-18(22)8-17)23-19(24)12-26-20(25)21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,13-16H,5-7,9-12H2,1H3,(H,23,24)/t13-,14?,15?,16?,21?/m1/s1