[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 3-chloranyladamantane-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-keto-1-methyl-2-(1-phenylethylamino)ethyl] ester Formula: C22H28ClNO3 MolecularWeight: 389.91562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClNO3/c1-14(18-6-4-3-5-7-18)24-19(25)15(2)27-20(26)21-9-16-8-17(10-21)12-22(23,11-16)13-21/h3-7,14-17H,8-13H2,1-2H3,(H,24,25)