[2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-[(4-chlorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H25Cl2NO3 MolecularWeight: 410.3341

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Cl)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CN(CC1=CC=C(C=C1)Cl)C(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H25Cl2NO3/c1-24(11-14-2-4-17(22)5-3-14)18(25)12-27-19(26)20-7-15-6-16(8-20)10-21(23,9-15)13-20/h2-5,15-16H,6-13H2,1H3/t15-,16+,20?,21?