2-[[cyclopropylmethyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid

Systemtic Name: 2-[[cyclopropylmethyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid Openeye Name: 2-[[cyclopropylmethyl-[(2,5-dimethylphenyl)methyl]amino]methyl]oxazole-4-carboxylic acid CAS Name: 2-[[cyclopropylmethyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-4-oxazolecarboxylic acid IUPAC Name: 2-[[cyclopropylmethyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid Traditional Name: 2-[[cyclopropylmethyl-(2,5-dimethylbenzyl)amino]methyl]oxazole-4-carboxylic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN(CC2CC2)CC3=NC(=CO3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN(CC2CC2)CC3=NC(=CO3)C(=O)O

InChI

InChI=1S/C18H22N2O3/c1-12-3-4-13(2)15(7-12)9-20(8-14-5-6-14)10-17-19-16(11-23-17)18(21)22/h3-4,7,11,14H,5-6,8-10H2,1-2H3,(H,21,22)