2-[[butan-2-yl-[(3-chlorophenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid

Systemtic Name: 2-[[butan-2-yl-[(3-chlorophenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid Openeye Name: 2-[[(3-chlorophenyl)methyl-sec-butyl-amino]methyl]oxazole-4-carboxylic acid CAS Name: 2-[[butan-2-yl-[(3-chlorophenyl)methyl]amino]methyl]-4-oxazolecarboxylic acid IUPAC Name: 2-[[butan-2-yl-[(3-chlorophenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid Traditional Name: 2-[[(3-chlorobenzyl)-sec-butyl-amino]methyl]oxazole-4-carboxylic acid Formula: C16H19ClN2O3 MolecularWeight: 322.78666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)Cl)CC2=NC(=CO2)C(=O)O

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)Cl)CC2=NC(=CO2)C(=O)O

InChI

InChI=1S/C16H19ClN2O3/c1-3-11(2)19(8-12-5-4-6-13(17)7-12)9-15-18-14(10-22-15)16(20)21/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,21)