4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-3-methyl-benzoic acid Openeye Name: 4-[(3-bromo-4-methoxy-phenyl)methylamino]-3-methyl-benzoic acid CAS Name: 4-[(3-bromo-4-methoxyphenyl)methylamino]-3-methylbenzoic acid IUPAC Name: 4-[(3-bromo-4-methoxyphenyl)methylamino]-3-methylbenzoic acid Traditional Name: 4-[(3-bromo-4-methoxy-benzyl)amino]-3-methyl-benzoic acid Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO3/c1-10-7-12(16(19)20)4-5-14(10)18-9-11-3-6-15(21-2)13(17)8-11/h3-8,18H,9H2,1-2H3,(H,19,20)