methyl 2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]-3-methyl-pentanoate CAS Name: 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-3-methylpentanoate Traditional Name: 2-[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]-3-methyl-valeric acid methyl ester Formula: C15H22BrNO4 MolecularWeight: 360.24348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NCC1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

CCC(C)C(C(=O)OC)NCC1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C15H22BrNO4/c1-5-9(2)13(15(19)21-4)17-8-10-6-11(16)14(18)12(7-10)20-3/h6-7,9,13,17-18H,5,8H2,1-4H3