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

Systemtic Name: methyl 2-[[5-(4-bromophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylbutylamino)propanoate Openeye Name: methyl 2-[[5-(4-bromophenyl)isoxazol-3-yl]methyl]-3-(2-methylbutylamino)propanoate CAS Name: 2-[[5-(4-bromophenyl)-3-isoxazolyl]methyl]-3-(2-methylbutylamino)propanoic acid methyl ester IUPAC Name: methyl 2-[[5-(4-bromophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylbutylamino)propanoate Traditional Name: 2-[[5-(4-bromophenyl)isoxazol-3-yl]methyl]-3-(2-methylbutylamino)propionic acid methyl ester Formula: C19H25BrN2O3 MolecularWeight: 409.3174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNCC(CC1=NOC(=C1)C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CCC(C)CNCC(CC1=NOC(=C1)C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C19H25BrN2O3/c1-4-13(2)11-21-12-15(19(23)24-3)9-17-10-18(25-22-17)14-5-7-16(20)8-6-14/h5-8,10,13,15,21H,4,9,11-12H2,1-3H3