methyl 2-[(cyclohexylamino)methyl]-3-[5-(4-methylphenyl)-1,2-oxazol-3-yl]propanoate

Systemtic Name: methyl 2-[(cyclohexylamino)methyl]-3-[5-(4-methylphenyl)-1,2-oxazol-3-yl]propanoate Openeye Name: methyl 2-[(cyclohexylamino)methyl]-3-[5-(p-tolyl)isoxazol-3-yl]propanoate CAS Name: 2-[(cyclohexylamino)methyl]-3-[5-(4-methylphenyl)-3-isoxazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-[(cyclohexylamino)methyl]-3-[5-(4-methylphenyl)-1,2-oxazol-3-yl]propanoate Traditional Name: 2-[(cyclohexylamino)methyl]-3-[5-(p-tolyl)isoxazol-3-yl]propionic acid methyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)CC(CNC3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)CC(CNC3CCCCC3)C(=O)OC

InChI

InChI=1S/C21H28N2O3/c1-15-8-10-16(11-9-15)20-13-19(23-26-20)12-17(21(24)25-2)14-22-18-6-4-3-5-7-18/h8-11,13,17-18,22H,3-7,12,14H2,1-2H3