methyl 2-[(5-bromanylfuran-2-yl)methylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[(5-bromanylfuran-2-yl)methylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[(5-bromo-2-furyl)methylamino]-3-methyl-pentanoate CAS Name: 2-[(5-bromo-2-furanyl)methylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoate Traditional Name: 2-[(5-bromo-2-furyl)methylamino]-3-methyl-valeric acid methyl ester Formula: C12H18BrNO3 MolecularWeight: 304.18022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NCC1=CC=C(O1)Br

Isomeric SMILES

CCC(C)C(C(=O)OC)NCC1=CC=C(O1)Br

InChI

InChI=1S/C12H18BrNO3/c1-4-8(2)11(12(15)16-3)14-7-9-5-6-10(13)17-9/h5-6,8,11,14H,4,7H2,1-3H3