methyl 2-[(7-bromanyl-1,3-benzodioxol-5-yl)methylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[(7-bromanyl-1,3-benzodioxol-5-yl)methylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]-3-methyl-pentanoate CAS Name: 2-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]-3-methylpentanoate Traditional Name: 2-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]-3-methyl-valeric acid methyl ester Formula: C15H20BrNO4 MolecularWeight: 358.2276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NCC1=CC2=C(C(=C1)Br)OCO2

Isomeric SMILES

CCC(C)C(C(=O)OC)NCC1=CC2=C(C(=C1)Br)OCO2

InChI

InChI=1S/C15H20BrNO4/c1-4-9(2)13(15(18)19-3)17-7-10-5-11(16)14-12(6-10)20-8-21-14/h5-6,9,13,17H,4,7-8H2,1-3H3