2-[2-(cyclohexylamino)ethyl]-3-methyl-5-phenyl-5H-1,2-oxazole-4-carboxylic acid

Systemtic Name: 2-[2-(cyclohexylamino)ethyl]-3-methyl-5-phenyl-5H-1,2-oxazole-4-carboxylic acid Openeye Name: 2-[2-(cyclohexylamino)ethyl]-3-methyl-5-phenyl-5H-isoxazole-4-carboxylic acid CAS Name: 2-[2-(cyclohexylamino)ethyl]-3-methyl-5-phenyl-5H-isoxazole-4-carboxylic acid IUPAC Name: 2-[2-(cyclohexylamino)ethyl]-3-methyl-5-phenyl-5H-1,2-oxazole-4-carboxylic acid Traditional Name: 2-[2-(cyclohexylamino)ethyl]-3-methyl-5-phenyl-3-isoxazoline-4-carboxylic acid Formula: C19H26N2O3 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(ON1CCNC2CCCCC2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(ON1CCNC2CCCCC2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H26N2O3/c1-14-17(19(22)23)18(15-8-4-2-5-9-15)24-21(14)13-12-20-16-10-6-3-7-11-16/h2,4-5,8-9,16,18,20H,3,6-7,10-13H2,1H3,(H,22,23)