2-dimethylaminoethyl 3,5-diphenyladamantane-1-carboxylate chloride

Systemtic Name: 2-dimethylaminoethyl 3,5-diphenyladamantane-1-carboxylate chloride Openeye Name: 2-dimethylaminoethyl 3,5-diphenyladamantane-1-carboxylate chloride CAS Name: 3,5-diphenyl-1-adamantanecarboxylic acid 2-dimethylaminoethyl ester chloride IUPAC Name: 2-dimethylaminoethyl 3,5-diphenyladamantane-1-carboxylate chloride Traditional Name: 3,5-diphenyladamantane-1-carboxylic acid 2-dimethylaminoethyl ester chloride Formula: C27H33ClNO2- MolecularWeight: 439.00942

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C12CC3CC(C1)(CC(C3)(C2)C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CN(C)CCOC(=O)C12CC3CC(C1)(CC(C3)(C2)C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C27H33NO2.ClH/c1-28(2)13-14-30-24(29)27-17-21-15-25(19-27,22-9-5-3-6-10-22)18-26(16-21,20-27)23-11-7-4-8-12-23;/h3-12,21H,13-20H2,1-2H3;1H/p-1