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

Systemtic Name: methyl 3-(4-chlorophenyl)-5-(4-phenylbutan-2-ylamino)-1,2-oxazole-4-carboxylate Openeye Name: methyl 3-(4-chlorophenyl)-5-[(1-methyl-3-phenyl-propyl)amino]isoxazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-5-(4-phenylbutan-2-ylamino)-4-isoxazolecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)-5-(4-phenylbutan-2-ylamino)-1,2-oxazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-5-[(1-methyl-3-phenyl-propyl)amino]isoxazole-4-carboxylic acid methyl ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC2=C(C(=NO2)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC2=C(C(=NO2)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H21ClN2O3/c1-14(8-9-15-6-4-3-5-7-15)23-20-18(21(25)26-2)19(24-27-20)16-10-12-17(22)13-11-16/h3-7,10-14,23H,8-9H2,1-2H3