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

Systemtic Name: methyl 2-[[5-(4-bromophenyl)-1,2-oxazol-3-yl]methyl]-3-(cyclohexylamino)propanoate Openeye Name: methyl 2-[[5-(4-bromophenyl)isoxazol-3-yl]methyl]-3-(cyclohexylamino)propanoate CAS Name: 2-[[5-(4-bromophenyl)-3-isoxazolyl]methyl]-3-(cyclohexylamino)propanoic acid methyl ester IUPAC Name: methyl 2-[[5-(4-bromophenyl)-1,2-oxazol-3-yl]methyl]-3-(cyclohexylamino)propanoate Traditional Name: 2-[[5-(4-bromophenyl)isoxazol-3-yl]methyl]-3-(cyclohexylamino)propionic acid methyl ester Formula: C20H25BrN2O3 MolecularWeight: 421.3281

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=NOC(=C1)C2=CC=C(C=C2)Br)CNC3CCCCC3

Isomeric SMILES

COC(=O)C(CC1=NOC(=C1)C2=CC=C(C=C2)Br)CNC3CCCCC3

InChI

InChI=1S/C20H25BrN2O3/c1-25-20(24)15(13-22-17-5-3-2-4-6-17)11-18-12-19(26-23-18)14-7-9-16(21)10-8-14/h7-10,12,15,17,22H,2-6,11,13H2,1H3