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

Systemtic Name: 3-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3-bromo-4,5-dimethoxy-phenyl)methylamino]-4-methyl-benzoic acid CAS Name: 3-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylbenzoic acid IUPAC Name: 3-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylbenzoic acid Traditional Name: 3-[(3-bromo-4,5-dimethoxy-benzyl)amino]-4-methyl-benzoic acid Formula: C17H18BrNO4 MolecularWeight: 380.23312

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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)