[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO3/c1-14-2-4-15(5-3-14)11-23-18(24)12-26-19(25)20-7-16-6-17(8-20)10-21(22,9-16)13-20/h2-5,16-17H,6-13H2,1H3,(H,23,24)/t16-,17+,20?,21?