3-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]-4-methyl-benzoate

Systemtic Name: 3-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]-4-methyl-benzoate Openeye Name: 3-[(3-bromo-4,5-dimethoxy-phenyl)methylamino]-4-methyl-benzoate CAS Name: 3-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylbenzoate IUPAC Name: 3-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylbenzoate Traditional Name: 3-[(3-bromo-4,5-dimethoxy-benzyl)amino]-4-methyl-benzoate Formula: C17H17BrNO4- MolecularWeight: 379.22518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NCC2=CC(=C(C(=C2)Br)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NCC2=CC(=C(C(=C2)Br)OC)OC

InChI

InChI=1S/C17H18BrNO4/c1-10-4-5-12(17(20)21)8-14(10)19-9-11-6-13(18)16(23-3)15(7-11)22-2/h4-8,19H,9H2,1-3H3,(H,20,21)/p-1