(2-adamantylideneamino) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: (2-adamantylideneamino) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: (2-adamantylideneamino) 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylate CAS Name: 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid (2-adamantylideneamino) ester IUPAC Name: (2-adamantylideneamino) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylic acid (2-adamantylideneamino) ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)ON=C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)ON=C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C21H21ClN2O3/c1-11-18(20(24-26-11)16-4-2-3-5-17(16)22)21(25)27-23-19-14-7-12-6-13(9-14)10-15(19)8-12/h2-5,12-15H,6-10H2,1H3